SCHEMBL10421103

SCHEMBL10421103

COC(=O)CCCc1cccc(C(=O)c2ccc(O)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.49
▸ CYP4A11 Q02928 3/20 0.49
▸ ESRRB O95718 1/20 0.48
▸ CYP19A1 P11511 1/20 0.45
▸ MIF P14174 1/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ GLI1 P08151 2/20 0.42
▸ GLI2 P10070 2/20 0.42
▸ STS P08842 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ PLAAT3 P53816 1/20 0.41
▸ PLAAT5 Q96KN8 1/20 0.41
▸ PLAAT2 Q9NWW9 1/20 0.41
▸ PLAAT4 Q9UL19 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL10420236 0.92 ESRRB (0.50) CYP4F2CYP4A11ESRRBCYP19A1GLI1
SCHEMBL16035191 0.91 CYP4F2 (0.52) CYP4F2CYP4A11TDP1
SCHEMBL10421932 0.83 HSP90AB1 (0.50) CYP4F2CYP4A11ESRRBCYP19A1STS
SCHEMBL28151357 0.82 HDAC6 (0.57) CYP4F2CYP4A11
SCHEMBL16091085 0.80 TDP1 (0.51) CYP4A11ESRRBSRD5A2TDP1SMN1; SMN2
SCHEMBL10420338 0.79 CYP4F2 (0.63) CYP4F2CYP4A11MIFDPP4TDP1
SCHEMBL1863579 0.78 CALM1 (0.55) CYP4F2CYP4A11CYP19A1MIFPLAAT3
SCHEMBL3469156 0.77 MAPT (0.50) CYP4F2CYP4A11ESRRBSRD5A2HTT
SCHEMBL16035296 0.77 MGLL (0.47) TDP1
SCHEMBL10421744 0.76 STS (0.51) ESRRBSTSSRD5A2

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-4920133-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 — — US disclosed
Send feedback