SCHEMBL26464767

SCHEMBL26464767

Cc1ccc(CCCc2ccc(NC(=O)[C@@H](N)C(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 12/20 0.60
▸ MAPT P10636 1/20 0.50
▸ SPHK2 Q9NRA0 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ S1PR1 P21453 1/20 0.45
▸ S1PR3 Q99500 1/20 0.45

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
SCHEMBL24324832 0.84 SPHK1 (0.64) SPHK1SPHK2NPC1RAB9ASMN1; SMN2
SCHEMBL19234510 0.80 SPHK1 (0.56) SPHK1ALDH1A1CYP1A2NPC1RAB9A
SCHEMBL20715479 0.79 MAPT (0.58) SPHK1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20715478 0.79 MAPT (0.58) SPHK1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12310783 0.78 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8712090 0.78 NPC1 (0.51) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL25563421 0.75 TERT (0.53) MAPTALDH1A1SMN1; SMN2
SCHEMBL1311924 0.75 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3
SCHEMBL1312105 0.75 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3
SCHEMBL1313131 0.75 SPHK1 (1.00) SPHK1SPHK2S1PR1S1PR3

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
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 — — WO disclosed
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