SCHEMBL9521940

SCHEMBL9521940

CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccc2NC(=O)C23CC4CC(CC2C4)C3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
CNR2 P34972 3/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABCB11 O95342 1/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
STAT6 P42226 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ADORA1 P30542 1/20 0.38

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
SCHEMBL9521787 0.86 P2RX7 (0.43) EPHX2CNR2KMT2AMEN1ESR1
SCHEMBL9521687 0.75 KMT2A (0.48) KMT2AMEN1KDM4EABCB11LMNA
SCHEMBL9126293 0.74 KDM4E (0.56) KMT2AMEN1KDM4EABCB11LMNA
SCHEMBL9126492 0.74 KMT2A (0.48) KMT2AMEN1KDM4EABCB11LMNA
SCHEMBL9521389 0.73 CNR2 (0.57) CNR2KMT2AMEN1P2RX7NPSR1
SCHEMBL9126108 0.71 ALDH1A1 (0.57) KMT2AMEN1KDM4ELMNACYP3A4
SCHEMBL9122007 0.71 KMT2A (0.65) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL9122648 0.71 TDP1 (0.50) KMT2AMEN1KDM4EABCB11LMNA
SCHEMBL9126018 0.70 KMT2A (0.64) KMT2AMEN1KDM4EABCB11LMNA
SCHEMBL9124818 0.70 TSHR (0.53) KMT2AMEN1KDM4ELMNATSHR

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
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed