SCHEMBL315254

SCHEMBL315254

CCC(C(=O)O)n1ccnc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.40
ALPL P05186 2/20 0.36
ALPG P10696 2/20 0.36
ALPI P09923 1/20 0.36
PLAA Q9Y263 1/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GFER P55789 1/20 0.35

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
SCHEMBL14487736 0.80 SMN1; SMN2 (0.48) ALDH1A1HSD17B10KDM4ECYP2C19SMN1; SMN2
SCHEMBL3733939 0.79 CASP1 (0.34) KMT2APOLBALDH1A1HSD17B10KDM4E
SCHEMBL8928043 0.78 CYP26A1 (0.43) CYP26A1ALPLALPGALPIPLAA
SCHEMBL10688674 0.77 ALDH1A1 (0.44) CYP26A1ALDH1A1KDM4EMAPTFDPS
SCHEMBL8741557 0.76 LMNA (0.43) KMT2AALDH1A1MEN1MAPTCYP2C19
SCHEMBL3932075 0.74 KMT2A (0.40) CYP26A1KMT2APOLBALDH1A1KDM4E
Oxalic Acid SCHEMBL10364074 0.74 CYP26A1 (0.38) CYP26A1ALDH1A1KDM4EFDPSHTT
SCHEMBL18250722 0.74 ALDH1A1 (0.42) CYP26A1KMT2APOLBALDH1A1MEN1
SCHEMBL2932043 0.72 KMT2A (0.41) CYP26A1KMT2APOLBALDH1A1MEN1
SCHEMBL2797959 0.71 L3MBTL1 (0.45) CYP26A1KMT2APOLBALDH1A1KDM4E

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed