SCHEMBL8537851

SCHEMBL8537851

C[C@@H]1N(C(=O)CCc2ccccc2)C(=O)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FKBP1A P62942 1/20 0.43
NPC1 O15118 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FAAH O00519 2/20 0.41
KEAP1 Q14145 1/20 0.40
CASP3 P42574 1/20 0.39
CASP7 P55210 1/20 0.39
S1PR1 P21453 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
SCHEMBL7018288 0.75 NAAA (0.50) NAAAPOLBHPGDSMN1; SMN2FKBP1A
SCHEMBL18748460 0.74 FAAH (0.42) NAAAPOLBHPGDSMN1; SMN2FKBP1A
SCHEMBL8960581 0.73 NAAA (0.48) NAAAPOLBHPGDSMN1; SMN2FKBP1A
SCHEMBL7296671 0.73 NAAA (0.48) NAAAPOLBHPGDSMN1; SMN2FKBP1A
SCHEMBL8070471 0.72 NAAA (0.47) NAAAPOLBHPGDSMN1; SMN2FKBP1A
SCHEMBL8537004 0.69 TNKS (0.46)
SCHEMBL25173231 0.69 HDAC3 (0.36) NAAASMN1; SMN2
SCHEMBL25173230 0.69 HDAC3 (0.36) NAAASMN1; SMN2
SCHEMBL475580 0.68 NAAA (0.58) NAAAFKBP1ANPC1TDP1FAAH
SCHEMBL475582 0.68 NAAA (0.58) NAAAFKBP1ANPC1TDP1FAAH

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
US-5801249-A Chiral auxiliaries OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 1998-09-01 US disclosed
EP-0736017-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1996-10-09 EP disclosed
WO-1995018112-A1 IMPROVEMENTS IN OR RELATING TO CHIRAL AUXILIARIES OXFORD ASYMMETRY LIMITED (GB) 1995-07-06 WO disclosed