SCHEMBL31473533

SCHEMBL31473533

CCCCCCOc1ccc(C(=O)N(C)[C@H]2C[C@H](N)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PLA2G4B P0C869 5/20 0.52
▸ THRA P10827 3/20 0.52
▸ THRB P10828 3/20 0.52
▸ RARB P10826 3/20 0.50
▸ MCHR1 Q99705 1/20 0.48
▸ PLA2G4A P47712 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL7637707 0.77 TP53 (0.66) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL31473506 0.75 PLA2G4B (0.49) TP53TSHRPLA2G4B
SCHEMBL31473498 0.74 PLA2G4B (0.48) TP53TSHRPLA2G4B
SCHEMBL10932269 0.74 ALDH1A1 (0.61) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL31473530 0.74 PLA2G4B (0.47) TP53TSHRPLA2G4B
SCHEMBL6539277 0.73 TP53 (0.60) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL15172203 0.73 TP53 (0.65) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL27604285 0.73 TP53 (0.64) TP53TSHRPLA2G4BTHRATHRB
SCHEMBL4924443 0.72 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A
SCHEMBL9306861 0.72 TP53 (0.73) TP53TSHRPLA2G4BRARBPLA2G4A

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
WO-2025061176-A1 CYCLOALKANE-SUBSTITUTED AMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 上海科技大学 2025-03-27 — — WO disclosed
CN-119661404-A Cycloalkane substituted amine derivative, preparation method and application thereof 上海科技大学 2025-03-21 — — CN disclosed
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