SCHEMBL6565710

SCHEMBL6565710

C=C(C(=O)O)C(Cc1ccco1)(Cc1ccco1)Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.40
ALOX5 P09917 1/20 0.40
PTPN1 P18031 1/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
EPHX2 P34913 2/20 0.38
RIPK1 Q13546 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38

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
SCHEMBL243071 0.74 TSHR (0.39) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL27411482 0.73 ALDH1A1 (0.44) ALDH1A1ATMALOX5TSHRHSD17B10
SCHEMBL2788840 0.73 ALDH1A1 (0.44) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL3174802 0.71 RIPK1 (0.50) ALDH1A1ATMALOX5TSHRHSD17B10
SCHEMBL4461644 0.71 ALDH1A1 (0.40) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL8181893 0.71 EPHX2 (0.41) ALDH1A1ALOX5TSHRHSD17B10TDP1
SCHEMBL8515456 0.70 ALDH1A1 (0.46) ALDH1A1ATMALOX5TSHRHSD17B10
Furfuryl Alcohol SCHEMBL27545449 0.70 ALDH1A1 (0.50) ALDH1A1ATMALOX5PTPN1TSHR
SCHEMBL151790 0.70 ALDH1A1 (0.43) ALDH1A1ATMALOX5PTPN1TSHR
Furfuryl Alcohol SCHEMBL11583759 0.70 ALDH1A1 (0.50) ALDH1A1ATMALOX5PTPN1TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1410109-A1 PHOTOSENSITIVE RESIN COMPOSITION Ciba SC Holding AG (CH) 2004-04-21 EP disclosed
WO-2003010602-A1 PHOTOSENSITIVE RESIN COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-02-06 WO disclosed
EP-1095313-A1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2001-05-02 EP disclosed
WO-2000000869-A1 PHOTOPOLYMERIZABLE THERMOSETTING RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-01-06 WO disclosed