SCHEMBL27898293

SCHEMBL27898293

COC(=O)CC1c2cc(OC(C)c3ccccc3)ccc2NC1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
CREBBP Q92793 4/20 0.47
FFAR1 O14842 1/20 0.41
KCNQ2 O43526 1/20 0.41
LTB4R Q15722 5/20 0.39
LTB4R2 Q9NPC1 5/20 0.39
S1PR5 Q9H228 2/20 0.39
S1PR1 P21453 1/20 0.39
KCNH2 Q12809 1/20 0.38
SCN3A Q9NY46 1/20 0.38
EGFR P00533 1/20 0.38
IGLV6-57 P01721 1/20 0.38
ALOX5 P09917 1/20 0.37
KCNA5 P22460 1/20 0.37

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
SCHEMBL27915937 0.81 CREBBP (0.46) CREBBPKCNQ2S1PR5S1PR1
SCHEMBL27898283 0.80 BRD4 (0.44) BRD4CREBBPFFAR1KCNQ2ALOX5
SCHEMBL27898279 0.78 S1PR1 (0.43) FFAR1S1PR5S1PR1
SCHEMBL6348036 0.74 HSPA1A (0.45) KCNQ2
SCHEMBL22368680 0.67 CREBBP (0.63) BRD4CREBBPFFAR1LTB4RLTB4R2
SCHEMBL29035350 0.65 LTB4R (0.55) FFAR1LTB4RLTB4R2
SCHEMBL29523710 0.65 LTB4R (0.55) FFAR1LTB4RLTB4R2
SCHEMBL29523427 0.65 LTB4R (0.55) FFAR1LTB4RLTB4R2
SCHEMBL28566657 0.65 CREBBP (0.62) BRD4CREBBPFFAR1LTB4RLTB4R2
SCHEMBL17673118 0.64 CREBBP (1.00) BRD4CREBBP

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-103044310-A Indoline-3-acetic acid derivative and preparation method thereof as well as application of derivative in medicine UNIV GUIYANG MEDICAL 2013-04-17 CN disclosed