SCHEMBL4295650

SCHEMBL4295650

O=C(CBr)c1ccc(OCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 4/20 0.62
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HPGD P15428 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ EGFR P00533 1/20 0.49
▸ PTGER1 P34995 1/20 0.49
▸ NR4A1 P22736 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ NR4A3 Q92570 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ SMPD1 P17405 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL6895376 0.91 PARP1 (0.57) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL17747100 0.89 SMN1; SMN2 (0.50) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL8356708 0.88 NPC1 (0.64) FOLH1KDM4EPOLBHPGDNPC1
SCHEMBL969045 0.88 HPGD (0.55) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL1649243 0.88 FOLH1 (0.68) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL11750017 0.86 NPC1 (0.53) FOLH1KDM4EALDH1A1POLBL3MBTL1
SCHEMBL10604837 0.86 EGFR (0.65) FOLH1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4161097 0.84 NPC1 (0.53) FOLH1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1437989 0.84 FFAR4 (0.58) FOLH1L3MBTL1HPGDNPC1RAB9A
SCHEMBL28979208 0.84 NPC1 (0.53) FOLH1KDM4EALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035004-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY Parion Sciences, Inc. (US) 2009-03-18 — — EP disclosed
WO-2007146869-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2007-12-21 — — WO disclosed
US-4101579-A Phenethanolamine ethers ALLEN & HANBURYS LIMITED (GB) 1978-07-18 — — US disclosed
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