SCHEMBL627251

SCHEMBL627251

COc1ccc(/C=C2/CCCC2=O)c(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.81
CRHR2 Q13324 1/20 0.81
KMT2A Q03164 3/20 0.70
ALDH1A1 P00352 2/20 0.70
MAPT P10636 2/20 0.70
POLB P06746 1/20 0.70
MEN1 O00255 2/20 0.60
NFE2L2 Q16236 2/20 0.59
RAB9A P51151 2/20 0.56
PLA2G1B P04054 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ATG4B Q9Y4P1 1/20 0.56
LY96 Q9Y6Y9 1/20 0.56
MAOB P27338 1/20 0.52
CES2 O00748 1/20 0.50
NOD2 Q9HC29 1/20 0.48
HSD17B3 P37058 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL624342 0.97 CRHBP (0.76) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL19050163 0.89 CRHBP (1.00) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL1524404 0.87 CRHBP (0.61) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL1524403 0.87 CRHBP (0.61) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL3438405 0.84 RAB9A (0.61) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL3438404 0.84 RAB9A (0.61) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL627723 0.80 ALDH1A1 (0.63) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL30825519 0.78 EGFR (0.63) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL1525052 0.78 EGFR (0.63) CRHBPCRHR2KMT2AALDH1A1MAPT
SCHEMBL1525054 0.78 EGFR (0.63) CRHBPCRHR2KMT2AALDH1A1MAPT

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
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed