SCHEMBL9736829

SCHEMBL9736829

COCC1(C)Oc2ccc(C(=O)OC)cc2C(N2CCCC2=O)C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.52
ABCC8 Q09428 2/20 0.52
KCNJ11 Q14654 2/20 0.52
KCNJ8 Q15842 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL10913244 0.89 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10913246 0.89 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10913242 0.89 ABCC9 (0.65) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10912417 0.86 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10912422 0.86 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL10912431 0.86 ABCC9 (0.61) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9736439 0.85 ABCC9 (0.54) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9734741 0.82 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735555 0.82 ABCC9 (0.76) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL9735947 0.82 ABCC9 (0.39) ABCC9ABCC8KCNJ11KCNJ8LMNA

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