SCHEMBL9735947

SCHEMBL9735947

COCC1(C)Oc2ccc(C(=O)OC)cc2C(N2CCCC2=O)C1(C)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.39
ABCC8 Q09428 2/20 0.39
KCNJ11 Q14654 2/20 0.39
KCNJ8 Q15842 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALOX15 P16050 3/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
IDO1 P14902 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32

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
SCHEMBL9735602 0.86 ABCC9 (0.41) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735333 0.83 ABCC9 (0.59) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735385 0.83 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9736829 0.82 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735486 0.80 ALOX5 (0.36) LMNAHSD17B10ALDH1A1HPGDIDO1
SCHEMBL10913246 0.77 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10913242 0.77 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10913244 0.77 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735212 0.75 CA12 (0.34) LMNAHSD17B10IDO1RARBRARG
SCHEMBL9735222 0.74 RARB (0.33) LMNAALOX15HSD17B10ALDH1A1IDO1

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 2 patents. 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
EP-0415065-A1 Chroman derivatives MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed