SCHEMBL10165469

SCHEMBL10165469

C=C(C)C(=O)CC1(CC)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.31

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
SCHEMBL171911 0.98 CYP1A2 (0.34) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL10941333 0.90 ALDH1A1 (0.41) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL15492892 0.81 USP2 (0.32) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL8267491 0.79 ALDH1A1 (0.42) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL15492922 0.79
SCHEMBL2680378 0.77 CYP1A2 (0.41) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL14658792 0.77 CYP1A2 (0.41) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL9895608 0.77 EPHX1 (0.31) TSHR
SCHEMBL686018 0.76 CYP2C19 (0.33) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3195737 0.75 ALDH1A1 (0.63) CYP1A2USP2ALDH1A1LMNATSHR

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-2009498-B1 Pattern forming method FUJIFILM CORP (JP) 2012-03-28 EP disclosed