SCHEMBL8769214

SCHEMBL8769214

COc1ccc(C(NC(=O)OCc2cccc3c2Cc2ccccc2-3)c2ccc(OCCCC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ESR1 P03372 1/20 0.40
▸ FFAR4 Q5NUL3 3/20 0.39
▸ FFAR1 O14842 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TP53 P04637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ FABP4 P15090 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31429573 0.82 KMT2A (0.41) TP53LMNAKMT2AMEN1MAPT
SCHEMBL7860715 0.79 KMT2A (0.42) GAAATMTP53LMNAKMT2A
SCHEMBL8769212 0.79 KMT2A (0.53) SRD5A1SRD5A2GAAFFAR4TP53
SCHEMBL29719396 0.79 KMT2A (0.53) SRD5A1SRD5A2GAAFFAR4TP53
SCHEMBL8769207 0.79 FFAR4 (0.41) SRD5A1SRD5A2GAAESR1FFAR4
SCHEMBL23118169 0.78 ITGB3 (0.48) ATMKMT2A
SCHEMBL30079703 0.77 PNMT (0.40) ESR1ATMKMT2AMEN1
SCHEMBL30940319 0.75 PNMT (0.40) —
SCHEMBL31190878 0.74 PNMT (0.42) ATM
SCHEMBL28214257 0.74 PNMT (0.42) ATM

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-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 — — EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 — — WO disclosed
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