SCHEMBL8569015

SCHEMBL8569015

COC(=O)c1ccc(Oc2cccc(O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
NPC1 O15118 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.49
BLM P54132 1/20 0.49
TNKS O95271 1/20 0.49
PARP15 Q460N3 1/20 0.49
PARP14 Q460N5 1/20 0.49
PARP10 Q53GL7 1/20 0.49

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
SCHEMBL3510175 0.89 ESR1 (0.65) RAB9AESR1ESR2NPC1ALDH1A1
SCHEMBL883130 0.87 TNKS (0.60) CA1CA2RAB9AMAPTNPC1
SCHEMBL30150872 0.84 TNKS (0.46) CA1CA2CA12CA9CA14
SCHEMBL27480274 0.84 HSD17B1 (0.59) CA1CA2RAB9AMAPTNPC1
SCHEMBL13692140 0.83 MAPT (0.66) RAB9AMAPTESR1ESR2TNKS
SCHEMBL9152540 0.83 CA12 (0.58) CA1CA2CA12CA7CA9
SCHEMBL12804468 0.83 SRD5A2 (0.59) RAB9ANPC1POLBTNKSPARP15
SCHEMBL8949522 0.83 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL2187179 0.83 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL9242690 0.83 MAPT (0.71) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
CN-1035001-C Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1997-05-28 CN disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
CN-1088906-A The phenyl phenol leukotriene antagonists that replaces LILLY CO ELI (US) 1994-07-06 CN disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed