SCHEMBL11836795

SCHEMBL11836795

Cc1cc(CCl)c(C)c(CCl)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
PON1 P27169 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
ACHE P22303 1/20 0.35
AMY1A P0DUB6 1/20 0.32
HSPA5 P11021 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL3824444 0.87 KDM4E (0.43) KMT2APON1KDM4EMAPK1RAB9A
SCHEMBL4408009 0.78 AMY1A (0.48) KMT2APON1KDM4EMAPK1RAB9A
SCHEMBL5200633 0.75 GPR35 (0.50) KMT2AKDM4EALDH1A1TSHRCYP2C9
SCHEMBL27953149 0.74 PON1 (0.32) KMT2APON1NPSR1
SCHEMBL5872206 0.74 AMY1A (0.37) KMT2APON1KDM4EMAPK1RAB9A
SCHEMBL9417298 0.74 KMT2A (0.42) KMT2APON1KDM4EMAPK1RAB9A
SCHEMBL32671766 0.74 ACHE (0.46) KMT2APON1KDM4EMAPK1RAB9A
SCHEMBL1262846 0.73 KMT2A (0.36) KMT2AMAPK1ACHEAMY1AHSPA5
SCHEMBL30558173 0.72 KDM4E (0.46) KMT2APON1KDM4EMAPK1RAB9A
SCHEMBL544678 0.72 KDM4E (0.46) KMT2APON1KDM4EMAPK1RAB9A

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
US-3947471-A CHROMOGENIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-03-30 US disclosed