SCHEMBL7976321

SCHEMBL7976321

C=C(CC1(C)CCCCCC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TET2 Q6N021 4/20 0.32
FFAR3 O14843 1/20 0.31
HSD11B1 P28845 1/20 0.30
TET3 O43151 1/20 0.30
TET1 Q8NFU7 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
SCHEMBL1334944 1.00 CYP2C19 (0.38) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL7978219 1.00 CYP2C19 (0.38) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL5897821 0.98 CYP2C19 (0.34) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL7964764 0.94 TET2 (0.33) CYP2C19TSHRSMN1; SMN2TET2FFAR3
Methyl Alcohol SCHEMBL30448702 0.79 ALDH1A1 (0.44) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL9234902 0.78 ALDH1A1 (0.47) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL15237486 0.78 CYP2C19 (0.54) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL178371 0.78 CYP2C19 (0.54) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL2791179 0.77 CYP2C19 (0.33) CYP2C19USP2ALDH1A1LMNACYP1A2
SCHEMBL2680378 0.76 CYP1A2 (0.41) CYP2C19USP2ALDH1A1LMNACYP1A2

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
US-6280897-B1 GENERATION OF ACID WITH ACTINIC RADIATION KABUSHIKI KAISHA TOSHIBA (JP) 2001-08-28 US disclosed