SCHEMBL28051149

SCHEMBL28051149

CCC(=O)CC.COc1ccc(CCC(=O)CCc2ccc(OC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.74
FFAR1 O14842 2/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SLC5A1 P13866 1/20 0.54
SLC5A2 P31639 1/20 0.54
ALOX5 P09917 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
FKBP1A P62942 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
SCHEMBL3994134 0.95 F2RL1 (0.77) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL7329940 0.93 F2RL1 (0.85) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL20221724 0.86 F2RL1 (0.70) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL24800806 0.86 F2RL1 (0.74) F2RL1FFAR1ALDH1A1NPC1RAB9A
SCHEMBL26751575 0.86 F2RL1 (0.74) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL9404116 0.85 F2RL1 (1.00) F2RL1FFAR1ALDH1A1POLBNFKB1
1,4-Dimethoxybenzene SCHEMBL27728279 0.84 NR1I2 (0.58) F2RL1NPC1RAB9ASMN1; SMN2
SCHEMBL29326625 0.84 ALOX5 (0.64) F2RL1ALDH1A1POLBALOX5
SCHEMBL10759018 0.84 F2RL1 (0.72) F2RL1FFAR1ALDH1A1POLBNFKB1
SCHEMBL24799818 0.84 F2RL1 (0.72) F2RL1FFAR1ALDH1A1POLBNFKB1

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
CN-105636957-A Tetrazolinone compound and application for same SUMITOMO CHEMICAL CO 2016-06-01 CN disclosed