SCHEMBL9926608

SCHEMBL9926608

OCC1(O)CC2C=CC1C2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MGAM O43451 3/20 0.35
SI P14410 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 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
SCHEMBL1615139 0.81 CYP2D6 (0.47) CYP2D6CYP2C19
SCHEMBL11163832 0.81 MGAM (0.31) MGAMSIGAA
SCHEMBL13787696 0.76 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL11613246 0.76 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL466190 0.76 CYP2D6 (0.38) CYP2D6CYP2C19
SCHEMBL12557087 0.72 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL1614819 0.72 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL12191675 0.72 CYP2D6 (0.40) CYP2D6CYP2C19
SCHEMBL14304384 0.72 KDM1A (0.36) CYP2D6CYP2C19
SCHEMBL11760105 0.72

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-2463714-A1 Basic compound, chemically amplified resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed