SCHEMBL801397

SCHEMBL801397

COCc1cccc(COC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.50
IDH1 O75874 1/20 0.46
FFAR1 O14842 1/20 0.44
MIF P14174 1/20 0.43
PRKDC P78527 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL6709375 0.92 ALDH1A1 (0.73) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL16154053 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFMMP2
SCHEMBL7671540 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL7671543 0.85 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL2756748 0.84 ALDH1A1 (0.67) ALDH1A1CYP3A4IDH1KDM4ESMN1; SMN2
SCHEMBL31160231 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL27664520 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4IDH1MIFSMN1; SMN2
SCHEMBL990642 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL20083591 0.84 ALDH1A1 (0.61) ALDH1A1CYP3A4IDH1MIFMMP1
SCHEMBL26992213 0.84 FFAR1 (0.43) ALDH1A1FFAR1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802792-B2 Partially hydrogenated bisphenol-A-based polymers as substitutes for bisphenol-A-based polymers EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-08-12 US disclosed
US-20120070593-A1 PARTIALLY HYDROGENATED BISPHENOL-A-BASED POLYMERS AS SUBSTITUTES FOR BISPHENOL-A-BASED POLYMERS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2012-03-22 US disclosed