SCHEMBL7965214

SCHEMBL7965214

CC1(c2ccc(Cl)cc2Cl)OCC(c2ccc([N+](=O)[O-])cc2)O1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOB P27338 4/20 0.40
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 1/20 0.35

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
SCHEMBL16662377 0.74 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL16652583 0.74 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL16652847 0.74 MEN1 (0.43) ALDH1A1LMNAMEN1KMT2AMAOB
SCHEMBL18857047 0.73 USP2 (0.47) KDM4ETSHRUSP2ALDH1A1LMNA
SCHEMBL31330287 0.73 CYP3A4 (0.52) TSHRUSP2ALDH1A1LMNAMEN1
SCHEMBL20767369 0.73 CYP3A4 (0.52) TSHRUSP2ALDH1A1LMNAMEN1
SCHEMBL20767380 0.73 CYP3A4 (0.52) TSHRUSP2ALDH1A1LMNAMEN1
SCHEMBL20785827 0.73 CYP3A4 (0.52) TSHRUSP2ALDH1A1LMNAMEN1
SCHEMBL31330248 0.73 CYP3A4 (0.52) TSHRUSP2ALDH1A1LMNAMEN1
SCHEMBL18258279 0.71 USP2 (0.56) KDM4ETSHRUSP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO claimed