SCHEMBL13679443

SCHEMBL13679443

C=CC(=O)Cc1cc(C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SRC P12931 1/20 0.40
▸ SLC22A12 Q96S37 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 1/20 0.37
▸ TGM2 P21980 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PARP14 Q460N5 1/20 0.36

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
SCHEMBL13091213 0.86 SRC (0.44) NPC1RAB9ASRCMEN1KMT2A
SCHEMBL21894227 0.83 TAAR1 (0.49) TAAR1NPC1RAB9ASRCMEN1
SCHEMBL705718 0.78 CTBP2 (0.50) TAAR1NPC1MEN1KMT2APOLB
SCHEMBL29375293 0.77 SRC (0.58) TAAR1NPC1RAB9ASRCSLC22A12
SCHEMBL37138 0.77 SRC (0.58) TAAR1NPC1RAB9ASRCSLC22A12
SCHEMBL9969945 0.77 TAAR1 (0.48) TAAR1NPC1RAB9ASRCSLC22A12
SCHEMBL1259688 0.77 TAAR1 (0.48) TAAR1NPC1RAB9ASRCSLC22A12
SCHEMBL1171323 0.76 ALDH1A1 (0.35) SRCTGM2HPGDALDH1A1TSHR
SCHEMBL37438 0.76 TAAR1 (0.47) TAAR1NPC1RAB9ASRCSLC22A12
SCHEMBL30570712 0.76 TAAR1 (0.52) TAAR1NPC1RAB9ASRCSLC22A12

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
EP-1411046-B1 QUINOLINE DERIVATIVE AND QUINAZOLINE DERIVATIVE INHIBITING SELF-PHOSPHORYLATION OF HEPATOCYTUS PROLIFERATOR RECEPTOR, AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN PHARMA KK (JP) 2009-09-16 — — EP disclosed
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