SCHEMBL7440996

SCHEMBL7440996

O=C(O)CNCCC(=O)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
EPHX1 P07099 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11186546 0.84 CYP2C19 (0.46) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL11186153 0.82 NAAA (0.43) NAAACYP2C19SMN1; SMN2EPHX1HTT
Cyclohexane SCHEMBL27646533 0.82 NAAA (0.58) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL22213807 0.82 NAAA (0.58) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL3472508 0.82 NAAA (0.58) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL7429306 0.80 NAAA (0.47) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL3473161 0.80 NAAA (0.56) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL28529713 0.79 NAAA (0.69) NAAACYP2C19SMN1; SMN2EPHX1HTT
Adipic Acid SCHEMBL29034391 0.79 NAAA (0.69) NAAACYP2C19SMN1; SMN2EPHX1HTT
SCHEMBL9469654 0.79 NAAA (0.64) NAAACYP2C19SMN1; SMN2EPHX1HTT

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-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP claimed
EP-0384636-A1 Pharmaceutically active compounds FISONS plc (GB) 1990-08-29 EP disclosed