SCHEMBL7399351

SCHEMBL7399351

CCOc1cc(OC)cc(C(C)O[C]=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
AHR P35869 1/20 0.40
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 2/20 0.34
CALM1 P0DP23 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
KAT6A Q92794 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
PRSS3 P35030 1/20 0.32
ABL1 P00519 1/20 0.32
ABCB1 P08183 1/20 0.32
BCR P11274 1/20 0.32
KMT2A Q03164 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1133802 0.88 ALDH1A1 (0.44) PTGS2ALDH1A1AKR1C3AKR1C2KMT2A
SCHEMBL13074291 0.75 ALDH1A1 (0.61) ESR1AHRALDH1A1CALM1ABL1
SCHEMBL13485083 0.75 ALDH1A1 (0.61) ESR1AHRALDH1A1CALM1ABL1
SCHEMBL16957380 0.75 ESR1 (0.45) ESR1AHRPTGS2ALDH1A1CALM1
SCHEMBL7749051 0.72 AOC3 (0.45) POLB
SCHEMBL8716433 0.71 RAB9A (0.46) PTGS2ALDH1A1AKR1C3AKR1C2ACACB
SCHEMBL12180749 0.69 PTGS2 (0.46) ESR1AHRPTGS2ALDH1A1AKR1C3
SCHEMBL16959318 0.69 ESR1 (0.46) ESR1AHRPTGS2ALDH1A1CALM1
SCHEMBL14461578 0.68 ESR1 (0.52) ESR1AHRALDH1A1CALM1ABL1
SCHEMBL4617166 0.68 CYP2D6 (0.37) ALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0134986-B1 BIOLOGICALLY ACTIVE HEPTAPEPTIDES, AGENTS THEREOF AND THEIR USE FARMITALIA CARLO ERBA S.r.l. (IT) 1989-12-27 EP claimed
US-4567162-A ANIMAL GROWTH PROMOTERS FARMITALIA CARLO ERBA (IT) 1986-01-28 US claimed
EP-0134986-A2 Biologically active heptapeptides, agents thereof and their use FARMITALIA CARLO ERBA S.r.l. (IT) 1985-03-27 EP claimed
US-4474765-A Biologically active peptides FARMITALIA CARLO ERBA S.P.A. (IT) 1984-10-02 US claimed
EP-0002680-A2 4-Spectinomycylamin and its physiologically acceptable salts, method of preparation and pharmaceutical products containing these substances Dr. Karl Thomae GmbH (DE) 1979-07-11 EP claimed
EP-0428700-B1 IRREVERSIBLE BOMBESIN ANTAGONISTS ERBA CARLO SPA (IT) 1994-05-04 EP disclosed
EP-0311392-B1 Solution synthesis of an octapeptide ERBA CARLO SPA (IT) 1993-12-29 EP disclosed
EP-0380623-B1 IRREVERSIBLE PEPTIDE LIGANDS FOR BOMBESIN RECEPTORS FARMITALIA CARLO ERBA S.r.l. (IT) 1993-09-29 EP disclosed
EP-0517913-A1 INHIBITIONS OF ENDOTHELIN FORMATION FARMITALIA CARLO ERBA S.r.l. (IT) 1992-12-16 EP disclosed
WO-1992012170-A1 INHIBITIONS OF ENDOTHELIN FORMATION FARMITALIA CARLO ERBA S.R.L. (IT) 1992-07-23 WO disclosed
EP-0175323-B1 BIOLOGICALLY ACTIVE PEPTIDES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS FARMITALIA CARLO ERBA S.r.l. (IT) 1992-04-29 EP disclosed
US-5100873-A Bombesin antagonist, anticancer agents, oligopeptides FARMITALIA CARLO ERBA (IT) 1992-03-31 US disclosed
EP-0339193-A1 Peptide ligands for bombesin receptors FARMITALIA CARLO ERBA S.r.l. (IT) 1989-11-02 EP disclosed
EP-0311391-A2 New process for preparing an octapeptide FARMITALIA CARLO ERBA S.r.l. (IT) 1989-04-12 EP disclosed
US-4650788-A Novel peptides having an immunostimulating action, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-17 US disclosed
EP-0183245-A2 Animal growth promotant FARMITALIA CARLO ERBA S.r.l. (IT) 1986-06-04 EP disclosed
EP-0175323-A2 Biologically active peptides, processes for preparing them and pharmaceutical compositions FARMITALIA CARLO ERBA S.r.l. (IT) 1986-03-26 EP disclosed
US-4567162-A ANIMAL GROWTH PROMOTERS FARMITALIA CARLO ERBA (IT) 1986-01-28 US disclosed
EP-0134986-A2 Biologically active heptapeptides, agents thereof and their use FARMITALIA CARLO ERBA S.r.l. (IT) 1985-03-27 EP disclosed
US-4474765-A Biologically active peptides FARMITALIA CARLO ERBA S.P.A. (IT) 1984-10-02 US disclosed