SCHEMBL9766056

SCHEMBL9766056

Cc1ccc2[nH]c(=O)cc(CCCl)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 2/20 0.45
AR P10275 2/20 0.45
KDM4E B2RXH2 3/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL9157725 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10TSHRHTT
SCHEMBL9152213 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHSD17B10TSHRHTT
SCHEMBL8369447 0.81 AR (0.51) LMNAARCA12CA9HPGD
SCHEMBL4112149 0.81 KDM4E (0.50) ALDH1A1MAPTHSD17B10TSHRHTT
SCHEMBL8210777 0.81 KMT2A (0.50) ALDH1A1MAPTHSD17B10TSHRLMNA
SCHEMBL23118890 0.81 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10TSHRHTT
SCHEMBL8364405 0.81 KDM4E (0.55) ALDH1A1MAPTHSD17B10TSHRKDM4E
Hydrochloric Acid SCHEMBL8367852 0.80 AR (0.50) LMNAARCA12CA9HPGD
SCHEMBL8368811 0.79 ALDH1A1 (0.56) ALDH1A1TSHRHTTKDM4ESMN1; SMN2
SCHEMBL9766147 0.77 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10TSHRHTT

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-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 US disclosed