SCHEMBL11238535

SCHEMBL11238535

ClC(Cl)(Cl)CC=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.47
MAOB P27338 2/20 0.44
HTR2A P28223 3/20 0.44
SIGMAR1 Q99720 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL31414061 0.79 IDO1 (0.48) IDO1PAMMAOBHTR2ASIGMAR1
SCHEMBL7792765 0.79 IDO1 (0.48) IDO1PAMMAOBHTR2ASIGMAR1
SCHEMBL23919129 0.77 HTR2A (0.48) IDO1PAMMAOBHTR2ASIGMAR1
SCHEMBL11048026 0.77 HTR2A (0.48) IDO1PAMMAOBHTR2ASIGMAR1
SCHEMBL8637999 0.76 ALDH1A1 (0.42) IDO1PAMMAOBNPC1RAB9A
SCHEMBL9777486 0.75 IDO1 (0.58) IDO1PAMMAOBHTR2ANPC1
SCHEMBL4863423 0.75 IDO1 (0.58) IDO1PAMMAOBHTR2ANPC1
SCHEMBL9466771 0.74 PAM (0.48) IDO1PAMMAOBHTR2ASIGMAR1
SCHEMBL10746755 0.74 PAM (0.48) IDO1PAMMAOBHTR2ASIGMAR1
Benzene SCHEMBL1225972 0.73 IDO1 (0.52) IDO1PAMMAOBHTR2ASIGMAR1

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
US-4324581-A ALPHA-TRICHLOROETHYL-M-HALOSTYRENE THE DOW CHEMICAL COMPANY (US) 1982-04-13 US disclosed
US-4086081-A PREEMERGENCE HERBICIDES THE DOW CHEMICAL COMPANY (US) 1978-04-25 US disclosed