SCHEMBL9544149

SCHEMBL9544149

Cc1ccc2c(c1)C(CCO)c1cc(C)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.36
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TRPA1 O75762 1/20 0.32
CYP1A2 P05177 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL8917213 0.87 MAOA (0.37) KMT2AMEN1CA1CA2CA4
SCHEMBL9449382 0.83 TRPM5 (0.37) KMT2AMEN1CA1CA2CA4
SCHEMBL9449414 0.76 HRH3 (0.46) TDO2KMT2AMEN1CA1CA2
Hydrochloric Acid SCHEMBL7609388 0.76 HTR2A (0.42) TDO2KMT2AMEN1CA1CA2
SCHEMBL17067722 0.76 CNR1 (0.38) NPC1TP53
SCHEMBL14327287 0.74 ALDH1A1 (0.36) TRPM5MAOBALDH1A1HPGDHSD17B10
SCHEMBL14396288 0.74 MAP2K4 (0.35) CA1CA2CA4CA7CA9
SCHEMBL2938396 0.73 LDHA (0.32) KMT2ACYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9449431 0.72 EGFR (0.45) KMT2AMEN1CYP1A2ALDH1A1HPGD
SCHEMBL10147112 0.72 PPIA (0.33) KMT2AMEN1MAOAMAOBALDH1A1

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
WO-1993011764-A1 FLUORENYL DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCIOS NOVA INC. (US) 1993-06-24 WO disclosed