SCHEMBL10079136

SCHEMBL10079136

CCCc1c(CO)c(CO)c(CCC)c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
ALDH1A1 P00352 3/20 0.33
ALDH1A2 O94788 2/20 0.33
ALDH2 P05091 2/20 0.33
ALDH1B1 P30837 2/20 0.33
ALDH1A3 P47895 2/20 0.33
GCGR P47871 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 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
SCHEMBL797401 0.89 LDHA (0.37) LDHALDHBALDH1A1ALDH1A2ALDH2
SCHEMBL10084532 0.89 GCGR (0.31) ALDH1A1GCGRKDM4EHPGD
SCHEMBL10084320 0.88 HTT (0.41) ALDH1A1ALDH1A2ALDH2ALDH1B1ALDH1A3
SCHEMBL10079135 0.79 LDHA (0.31) LDHALDHBALDH1A1ALDH1A2ALDH2
SCHEMBL13712467 0.77
SCHEMBL797234 0.77 ALDH1A1 (0.39) LDHALDHBALDH1A1ALDH1A2ALDH2
SCHEMBL10079131 0.74 MEN1 (0.43) LDHALDHBALDH1A1KDM4EHPGD
SCHEMBL797059 0.74 KDM4E (0.50) ALDH1A1GCGRKDM4EGAAHPGD
SCHEMBL797440 0.74 GCGR (0.34) ALDH1A1GCGRKDM4EGAAHPGD
SCHEMBL10079110 0.74 ALDH1A1 (0.36) ALDH1A1GCGR

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-8115197-B2 Organic semiconductor material, organic semiconductor thin film and organic semiconductor device SONY CORPORATION (JP) 2012-02-14 US disclosed