SCHEMBL11805289

SCHEMBL11805289

COc1cc(OC)c2c(c1C)C(=O)N(NC(=O)c1ccccc1O)C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.54
▸ PTGS2 P35354 1/20 0.54
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ POLB P06746 2/20 0.49
▸ ATM Q13315 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ BLM P54132 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ KCNMA1 Q12791 3/20 0.41
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL11811568 0.93 PTGS1 (0.54) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11811601 0.87 PTGS1 (0.62) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11812310 0.84 PTGS1 (0.56) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11808261 0.81 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11817513 0.80 PTGS1 (0.67) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11807255 0.79 PTGS1 (0.54) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11806443 0.79 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11806473 0.78 PTGS1 (0.68) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11813383 0.78 PTGS1 (0.60) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL11808813 0.76 PTGS1 (0.61) PTGS1PTGS2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3956331-A STABILIZER FOR POLYOLEFIN UBE INDUSTRIES, LTD. (JA) 1976-05-11 — — US disclosed
US-3933736-A HOMO- AND CO-POLYMERS OF ETHYLENE, PROPYLENE, BUTENE-1, PENTENE-1, AND 4-METHYLPENTENE-1 WITH ETHYL ACRYLATE OR VINYL ACETATE UBE INDUSTRIES, LTD. (JA) 1976-01-20 — — US disclosed
Send feedback