SCHEMBL9732913

SCHEMBL9732913

CCOc1ccc2c(c1)c(C=O)cn2Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.59
ICMT O60725 1/20 0.51
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LTB4R2 Q9NPC1 4/20 0.49
PLA2G2A P14555 1/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL9023153 0.89 LTB4R (0.63) LTB4RALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9584018 0.88 PLA2G2A (0.61) ALDH1A1LMNAPLA2G2A
SCHEMBL9023552 0.84 LTB4R (0.74) LTB4RALDH1A1SMN1; SMN2LMNALTB4R2
SCHEMBL21178247 0.83 LTB4R (0.68) LTB4RLTB4R2KMT2AMEN1POLB
SCHEMBL28524187 0.83 LTB4R (0.57) LTB4RALDH1A1LMNAPLA2G2APOLB
SCHEMBL28910240 0.81 LTB4R (0.56) LTB4RALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9732535 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL17829696 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2LMNAHTTTDP1
SCHEMBL28530566 0.78 LTB4R (0.52) LTB4RALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6642863 0.78 LTB4R (0.59) LTB4RALDH1A1SMN1; SMN2LMNAHTT

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-1992007829-A1 INDOLE-3-METHANAMINES USEFUL AS ANTI-DIABETIC, ANTI-OBESITY AND ANTI-ATHEROSCLEROTIC AGENTS THE UPJOHN COMPANY (US) 1992-05-14 WO disclosed