SCHEMBL8960581

SCHEMBL8960581

C[C@@H]1CC(C)(C)C(=O)N1C(=O)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
FKBP1A P62942 1/20 0.43
TSHR P16473 1/20 0.42
FAAH O00519 2/20 0.42
S1PR1 P21453 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KEAP1 Q14145 1/20 0.40

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
SCHEMBL8960479 0.84 L3MBTL1 (0.46) NAAAHPGDSMN1; SMN2NPC1TDP1
SCHEMBL8960322 0.78 ALDH1A1 (0.36) NAAAPOLBALDH1A1S1PR1
SCHEMBL8537851 0.73 NAAA (0.48) NAAAHPGDSMN1; SMN2NPC1TDP1
SCHEMBL7018288 0.72 NAAA (0.50) NAAAHPGDSMN1; SMN2NPC1TDP1
SCHEMBL8960315 0.71 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1POLB
SCHEMBL8696408 0.68 HPGD (0.63) HPGDSMN1; SMN2NPC1TDP1POLB
SCHEMBL7296671 0.68 NAAA (0.48) NAAAHPGDSMN1; SMN2NPC1TDP1
SCHEMBL14028152 0.67 POLB (0.73) NAAAHPGDSMN1; SMN2NPC1TDP1
SCHEMBL8070471 0.67 NAAA (0.47) NAAAHPGDSMN1; SMN2NPC1TDP1
SCHEMBL21674867 0.66 BRD4 (0.61) HPGDSMN1; SMN2NPC1TDP1ALDH1A1

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
EP-0693058-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1996-01-24 EP disclosed
WO-1994024104-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1994-10-27 WO disclosed