SCHEMBL7001869

SCHEMBL7001869

c1ccc(C(COCC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.44
MAPK1 P28482 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNN4 O15554 1/20 0.39
KCNH2 Q12809 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL14269138 0.85 MAPK1 (0.44) KIF11MAPK1ALDH1A1KCNN4KCNH2
SCHEMBL5793925 0.84 TSHR (0.58) TSHR
SCHEMBL5200155 0.82 ALDH1A1 (0.46) KIF11TSHRALDH1A1KCNH2
SCHEMBL14269137 0.80 NCF1 (0.36) KIF11MAPK1KCNN4KCNH2TAAR1
SCHEMBL11248540 0.79 KIF11 (0.41) KIF11MAPK1TSHRALDH1A1KCNN4
SCHEMBL9647561 0.79 SMN1; SMN2 (0.45) MAPK1ALDH1A1KCNH2ALOX15
SCHEMBL238217 0.79 KIF11 (0.41) KIF11MAPK1TSHRALDH1A1KCNN4
SCHEMBL9614597 0.79 ALDH1A1 (0.44) KIF11MAPK1TSHRALDH1A1KCNN4
SCHEMBL5972484 0.79 KIF11 (0.43) KIF11MAPK1ALDH1A1KCNN4KCNH2
SCHEMBL2328171 0.79 KIF11 (0.41) KIF11MAPK1TSHRALDH1A1KCNN4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973735-A INSECTICIDE SCHERING AKTIENGESELLSCHAFT (DE) 1990-11-27 US claimed
EP-1305026-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS Novuspharma S.p.A. (IT) 2003-05-02 EP disclosed
WO-2001093841-A2 BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS NOVUSPHARMA S.P.A. (IT) 2001-12-13 WO disclosed
EP-0220907-B1 PROCESS FOR THE PREPARATION OF 1,6-DICHLORO-1,6-DIDEOXY-BETA-D-FRUCTOFURANOSYL-4-CHLORO-4-DEOXY-ALPHA-GALACTOPYRANOSIDE McNeilab, Inc. (US) 1993-01-20 EP disclosed
US-4801700-A Process for the preparation of 1,6-dichloro-1,6-dideoxy-β-D-fructofuranosyl-4-chloro-4-deoxy-α- MCNEILAB, INC. (US) 1989-01-31 US disclosed
EP-0220907-A2 Process for the preparation of 1,6-dichloro-1,6-dideoxy-beta-D-fructofuranosyl-4-chloro-4-deoxy-alpha-galactopyranoside McNeilab, Inc. (US) 1987-05-06 EP disclosed