SCHEMBL9683956

SCHEMBL9683956

O=C(O)C1=Cc2c(F)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.42
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
TTR P02766 2/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NOTUM Q6P988 2/20 0.38
ACMSD Q8TDX5 1/20 0.38
BCHE P06276 1/20 0.36
HCAR3 P49019 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL9682799 0.76 TSHR (0.44) HSD17B10KMT2A
SCHEMBL1927711 0.68 FOLH1 (0.53) ALBCES2CES1TTRRAB9A
SCHEMBL10671377 0.66 ALDH1A1 (0.37) CA1CA2CA7CA9HTT
SCHEMBL260553 0.66 CES2 (0.67) ALBCES2CES1TTRNPC1
SCHEMBL31589562 0.66 HSD17B10 (0.58) CA9HPGDHSD17B10KMT2A
SCHEMBL503745 0.66 MAOA (0.50) TTRCA1CA2CA9KMT2A
SCHEMBL30895284 0.66 MAOA (0.50) TTRCA1CA2CA9KMT2A
SCHEMBL16875857 0.65 GPR35 (0.41) CES2CES1TTRACMSDKMT2A
Hydrochloric Acid SCHEMBL7968059 0.64 CES2 (0.64) ALBCES2CES1TTRNPC1
SCHEMBL3117223 0.64 CES2 (0.64) ALBCES2CES1TTRNPC1

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-5134147-A Antipsychotic agents ADIR ET COMPAGNIE (FR) 1992-07-28 US disclosed
US-5100902-A Dopamine and Serotonin Antagonists, Antipsychotic Agents ADIR ET COMPAGNIE (FR) 1992-03-31 US disclosed