SCHEMBL8102074

SCHEMBL8102074

Oc1[c]ccc(-c2ccc(O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.50
ESR2 Q92731 8/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.48
HSD17B1 P14061 3/20 0.46
HSD17B2 P37059 3/20 0.46
ABL1 P00519 3/20 0.46
ABCB1 P08183 3/20 0.46
BCR P11274 3/20 0.46
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KIF11 P52732 1/20 0.38

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
SCHEMBL7794439 0.84 ALOX5 (0.50) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL3990520 0.82 ALOX5 (0.46) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL6824955 0.78 HSD17B1 (0.58) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL27606388 0.78 ESR2 (0.47) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL9004859 0.78 ESR1 (0.46) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL6373456 0.77 ALOX5 (0.50) ESR1ESR2ALOX5
SCHEMBL9536490 0.75 ESR1 (0.57) ESR1ESR2ALOX5HSD17B1HSD17B2
SCHEMBL27606371 0.74 ESR1 (0.42) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL2341383 0.74 MMP3 (0.56) ESR1ESR2MEN1KMT2AALOX5
SCHEMBL6860834 0.72 ACHE (0.46) ESR1ESR2MEN1KMT2AALOX5

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-9075058-B2 Coelenterazine analogues and coelenteramide analogues JNC CORPORATION (JP) 2015-07-07 US disclosed
US-6133190-A SUPPORTED MERCAPTOAKYL-SUBSTITUTED POLYSTYRENESULFONATE IS USED AS A CATALYST FOR CONDENSATION OF ALDEHYDE OR KETONE WITH PHENOL TO FORM DIHYDROXY COMPOUND THE DOW CHEMICAL COMPANY (US) 2000-10-17 US disclosed
US-6051658-A A POLYSTYRENE HAVING MERCAPTOSULFONIC ACID RESIDUE, USEFUL AS CATALYST THE DOW CHEMICAL COMPANY (US) 2000-04-18 US disclosed
US-5939494-A CATALYST USEFUL FOR THE CONDENSATION OF AN ALDEHYDE OR KETONE STARTING MATERIAL WITH A PHENOL IS AN INSOLUBLE MERCAPTOSULFONIC ACID COMPOUND THE DOW CHEMICAL COMPANY (US) 1999-08-17 US disclosed
US-5463140-A Condensing aldehyde or ketone with phenol in presence of soluble or insoluble mercaptosulfonic acid compound to form geminal bisphenol moiety at each aldehyde or ketone moiety THE DOW CHEMICAL COMPANY (US) 1995-10-31 US disclosed