SCHEMBL3965403

SCHEMBL3965403

C=C(C)CCc1c(O)cc2c(c1O)C(=O)CC(c1ccc(O)cc1)O2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1H O95180 6/20 0.72
▸ KMT2A Q03164 3/20 0.69
▸ ESR1 P03372 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ ATM Q13315 2/20 0.69
▸ CACNA1G O43497 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.69
▸ ACHE P22303 2/20 0.64
▸ PTGS2 P35354 2/20 0.64
▸ TP53 P04637 1/20 0.64
▸ MDM2 Q00987 1/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ APEX1 P27695 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ CACNA1B Q00975 1/20 0.64
▸ APBA1 Q02410 1/20 0.64
▸ MCL1 Q07820 1/20 0.64
▸ CTDSP1 Q9GZU7 1/20 0.64

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
SCHEMBL17387170 0.87 CACNA1H (0.78) CACNA1HKMT2AESR1MAPTATM
SCHEMBL571508 0.85 ESR1 (0.76) CACNA1HKMT2AESR1MAPTCACNA1G
SCHEMBL22465736 0.84 CACNA1H (1.00) CACNA1HKMT2AESR1MAPTATM
SCHEMBL31517131 0.83 MAPT (0.65) CACNA1HKMT2AESR1MAPTATM
SCHEMBL22465610 0.82 CACNA1H (0.81) CACNA1HKMT2AESR1MAPTATM
SCHEMBL29394512 0.82 CACNA1H (1.00) CACNA1HKMT2AESR1MAPTATM
SCHEMBL145714 0.82 CACNA1H (1.00) CACNA1HKMT2AESR1MAPTATM
SCHEMBL145713 0.82 CACNA1H (1.00) CACNA1HKMT2AESR1MAPTATM
SCHEMBL17387051 0.81 CACNA1H (0.77) CACNA1HKMT2AESR1MAPTATM
SCHEMBL22465618 0.81 CACNA1H (1.00) CACNA1HKMT2AESR1MAPTATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9011902-B2 Composition for vaginal use POLICHEM SA (LU) 2015-04-21 — — US disclosed
EP-1978981-B1 COMPOSITIONS FOR VAGINAL USE POLICHEM SA (LU) 2009-07-22 — — EP disclosed
US-20090035361-A1 Composition for vaginal use POLICHEM S.A. (LU) 2009-02-05 — — US disclosed
EP-1978981-A1 COMPOSITIONS FOR VAGINAL USE Polichem S.A. (LU) 2008-10-15 — — EP disclosed
WO-2007085327-A1 COMPOSITIONS FOR VAGINAL USE POLICHEM S.A. (LU) 2007-08-02 — — WO disclosed
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