SCHEMBL9735367

SCHEMBL9735367

COCC1(C)Cc2ccc(C(=O)OC)cc2C(N2CCCC2=O)O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.34
OPRD1 P41143 1/20 0.34
HPGD P15428 1/20 0.34
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 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
SCHEMBL9735247 0.84 ABCC9 (0.34) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9735600 0.82 ABCC9 (0.51) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9735452 0.82 NR1H4 (0.35) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9736903 0.81 OPRD1 (0.34) ALOX15HSD17B10OPRD1KDM4EMAPT
SCHEMBL9736829 0.77 ABCC9 (0.52) ALOX15HSD17B10ALDH1A1OPRD1HPGD
SCHEMBL9736662 0.74 DRD3 (0.34) ALDH1A1OPRD1KDM4E
SCHEMBL9735900 0.73 OPRD1 (0.34) ALOX15HSD17B10ALDH1A1OPRD1HPGD
SCHEMBL9735947 0.73 ABCC9 (0.39) ALOX15HSD17B10ALDH1A1HPGDABCC9
SCHEMBL10913242 0.71 ABCC9 (0.65) ALOX15HSD17B10ALDH1A1HPGDABCC9
SCHEMBL10913246 0.71 ABCC9 (0.65) ALOX15HSD17B10ALDH1A1HPGDABCC9

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-5130322-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-14 US disclosed