SCHEMBL4037030

SCHEMBL4037030

COc1ccc(-c2ccco2)cc1-c1c(C=O)cc(C)c(O)c1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.57
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL4042640 0.88 ERN1 (0.49) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL4041509 0.81 ERN1 (0.56) ERN1PIK3R1PIK3CAPTPN2PTPN1
SCHEMBL15226080 0.80 ERN1 (0.52) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL4036698 0.76 ERN1 (0.68) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL4036525 0.75 ERN1 (0.55) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL4040519 0.73 ERN1 (0.47) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL12767031 0.73 ERN1 (1.00) ERN1
SCHEMBL4035385 0.72 ERN1 (0.46) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL15225776 0.72 ERN1 (0.46) ERN1PIK3R1PIK3CAALDH1A1MAPT
SCHEMBL4035765 0.72 ERN1 (0.47) ERN1PIK3R1PIK3CAALDH1A1MAPT

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-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed