SCHEMBL9846137

SCHEMBL9846137

CCc1cnccc1CCC(C)CC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 4/20 0.34
CYP2C8 P10632 4/20 0.34
CYP2D6 P10635 4/20 0.34
CYP2A6 P11509 4/20 0.34
CYP2B6 P20813 4/20 0.34
CYP2C19 P33261 4/20 0.34
AOC1 P19801 2/20 0.33
AOC3 Q16853 2/20 0.33
CYP2C9 P11712 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCNC P24863 1/20 0.30

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
SCHEMBL27335859 0.80 AOC1 (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9846363 0.77 KDM4C (0.36) AOC1AOC3CA12CA1CA2
SCHEMBL9586338 0.77 LMNA (0.39) CYP2D6CYP2A6CYP3A4LMNA
SCHEMBL9846115 0.76 KDM4C (0.35) LMNASMN1; SMN2L3MBTL1
SCHEMBL13844563 0.73 CYP2E1 (0.41) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9846259 0.73 CYP2E1 (0.36) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9586839 0.73 RIPK1 (0.40) LMNASMN1; SMN2L3MBTL1
SCHEMBL8271491 0.73 CYP2E1 (0.49) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL877689 0.72 CYP2E1 (0.48) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6
SCHEMBL9846235 0.71 CYP2E1 (0.35) CYP2E1CYP2C8CYP2D6CYP2A6CYP2B6

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
EP-0424538-A1 PYRIDINE DERIVATIVES AND THEIR SALTS, AND INSECTICIDAL/ACARICIDAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-05-02 EP disclosed