SCHEMBL9666453

SCHEMBL9666453

CCC(NC)N1CCc2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KDM4E B2RXH2 7/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ TSHR P16473 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KCNK3 O14649 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL9667131 0.82 GAA (0.55) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL10296104 0.79 MEN1 (0.65) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9667850 0.79 CYP2D6 (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11923834 0.71 MEN1 (1.00) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL30883376 0.71 MEN1 (1.00) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9624879 0.69 MEN1 (0.58) KMT2AMEN1MAPT
SCHEMBL13322714 0.69 MEN1 (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL12043669 0.67 MEN1 (0.51) KMT2AMEN1ALDH1A1MAPTATM
SCHEMBL9625180 0.67 MEN1 (0.58) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL9739408 0.66 MEN1 (0.47) KMT2AMEN1KDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0259793-B1 NAPHTHYL DERIVATIVES, MEDICAMENTS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1992-07-01 — — EP disclosed
US-4871735-A HYPOTENSIVE, ANTIISCHEMIC AGENTS DR. KARL THOMAE GMBH 1989-10-03 — — US disclosed
EP-0259793-A1 Naphthyl derivatives, medicaments containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1988-03-16 — — EP disclosed
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