SCHEMBL8189162

SCHEMBL8189162

CCCC(O)c1c(C(N)=O)ccc(-c2ccccc2)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.40
PLA2G2A P14555 7/20 0.36
PLA2G10 O15496 6/20 0.36
PLA2G1B P04054 1/20 0.35
PLA2G5 P39877 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
PLA2G12B Q9BX93 1/20 0.35
PLA2G12A Q9BZM1 1/20 0.35
PLA2G2F Q9BZM2 1/20 0.35
PLA2G3 Q9NZ20 1/20 0.35
PLA2G2E Q9NZK7 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8185101 0.75 BCAT2 (0.42) BCAT2PLA2G2APLA2G10LTB4R2SLCO1B1
SCHEMBL9633489 0.71 KMT2A (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL4301679 0.70 BCAT2 (0.57) BCAT2KDM4EALDH1A1LTB4R2MEN1
SCHEMBL28360369 0.70 PTGS1 (0.38) KDM4EALDH1A1MEN1KMT2ADRD3
SCHEMBL28149292 0.66 BCAT2 (0.50) BCAT2PLA2G2APLA2G10KDM4ELTB4R2
SCHEMBL2377415 0.66 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP2D6
SCHEMBL4444936 0.66 BCAT2 (0.53) BCAT2PLA2G2APLA2G10KDM4ELTB4R2
SCHEMBL29128772 0.65 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL3169510 0.64 BCAT2 (0.51) BCAT2PLA2G2APLA2G10PLA2G1BPLA2G5
SCHEMBL530128 0.64 BCAT2 (0.56) BCAT2PLA2G2APLA2G10PLA2G1BPLA2G5

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
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed