SCHEMBL19964983

SCHEMBL19964983

COc1cc(-c2cc3cc(C(=O)O)c(C)c(C(C)OC)n3c2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.38
RBBP4 Q09028 2/20 0.38
SUZ12 Q15022 2/20 0.38
EZH2 Q15910 2/20 0.38
AEBP2 Q6ZN18 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
TPMT P51580 1/20 0.34
NEK2 P51955 2/20 0.34
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33

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
SCHEMBL21156141 0.87 TSHR (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157295 0.82 EED (0.48) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964964 0.79 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964635 0.78 EED (0.67) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964981 0.78 TSHR (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21157286 0.72 EED (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964915 0.71 EED (0.56) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21156564 0.71 EED (0.51) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL21113458 0.70 EED (0.62) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL19964966 0.69 EED (0.45) EEDRBBP4SUZ12EZH2AEBP2

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
EP-3524602-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Haihe Pharmaceutical Co., Ltd. (CN) 2019-08-14 EP disclosed
WO-2018045971-A1 PYRIDO FIVE-ELEMENT AROMATIC RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发有限公司 2018-03-15 WO disclosed