SCHEMBL30228387

SCHEMBL30228387

CC(C)(C)OC(=O)N1CCc2[nH]c3ccc(O)cc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 7/20 0.59
▸ LMNA P02545 1/20 0.59
▸ PABPC1 P11940 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ ESR2 Q92731 1/20 0.57
▸ BAZ2B Q9UIF8 11/20 0.55

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
SCHEMBL30228645 0.90 TRPV1 (0.57) TRPV1LMNAPABPC1ATMSMN1; SMN2
SCHEMBL2832897 0.89 LMNA (0.76) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL409534 0.88 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL5104575 0.88 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL21114757 0.88 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2ESR2
SCHEMBL16140457 0.88 BAZ2B (0.71) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL21162488 0.87 BAZ2B (0.74) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL3312381 0.87 LMNA (0.57) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL30228575 0.87 BAZ2B (0.74) LMNAPABPC1ATMSMN1; SMN2BAZ2B
SCHEMBL5107538 0.86 CFTR (0.61) TRPV1LMNAPABPC1ATMSMN1; SMN2

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
CN-109988106-B Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine 广东东阳光药业有限公司 2023-03-31 — — CN disclosed
Send feedback