SCHEMBL7762164

SCHEMBL7762164

C(=C\CCc1ccccc1)\CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 11/20 0.57
▸ MAOB P27338 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.50

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
SCHEMBL9715286 1.00 GPR52 (0.57) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL7762166 1.00 GPR52 (0.57) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL28679572 0.90 MAOB (0.71) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL433496 0.90 MAOB (0.71) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL18595441 0.90 MAOB (0.71) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL11387571 0.88 TDP1 (0.58) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL7855313 0.88 GPR52 (0.53) GPR52ALDH1A1HPGDALOX15ALOX12
SCHEMBL6761553 0.88 TDP1 (0.52) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL97473 0.88 GPR52 (0.48) GPR52MAOBALDH1A1HPGDALOX15
SCHEMBL19031848 0.88 GPR52 (0.48) GPR52MAOBALDH1A1HPGDALOX15

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-2001070217-A1 DNA-CLEAVING ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION (US) 2001-09-27 — — WO disclosed
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