SCHEMBL10993291

SCHEMBL10993291

COc1ccc(Oc2ccc([C]=O)c(O)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PARP10 Q53GL7 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
MEN1 O00255 3/20 0.42

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
SCHEMBL910364 0.89 NPC1 (0.53) LTA4HNPC1RAB9AMEN1KMT2A
SCHEMBL11033417 0.79 PTGIR (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL18770386 0.74 ERN1 (0.52) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL12806594 0.74 LTA4H (0.57) LTA4HNPC1RAB9APARP10TUBB4A
SCHEMBL23074268 0.72 LTA4H (1.00) LTA4HPARP10MEN1KMT2AALDH1A1
SCHEMBL3415262 0.72 LTA4H (1.00) LTA4HPARP10MEN1KMT2AALDH1A1
SCHEMBL10596186 0.72 NPC1 (0.61) LTA4HNPC1RAB9AMEN1KMT2A
SCHEMBL24068857 0.72 TYR (0.80) LTA4HNPC1RAB9APARP10TRIM24
SCHEMBL11508000 0.71 CA12 (0.43) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL910590 0.71 CES2 (0.44) MEN1KMT2ATYRALDH1A1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4536517-A ANTIDIABETIC, ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed