SCHEMBL7094868

SCHEMBL7094868

c1coc(CCCCc2ccco2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
TDP1 Q9NUW8 2/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX15 P16050 1/20 0.67
USP2 O75604 1/20 0.67
HPGD P15428 1/20 0.67
CHRM2 P08172 1/20 0.48
KCNH3 Q9ULD8 2/20 0.44
EPHX2 P34913 3/20 0.42
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
HTR2B P41595 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL7093157 0.97 ALDH1A1 (0.70) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL11060991 0.94 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL921220 0.91 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL2231148 0.89 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL9602719 0.89 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL24478868 0.89 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL922272 0.89 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL221257 0.89 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3839583 0.89 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4ALOX15USP2
SCHEMBL3392080 0.89 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4ALOX15USP2

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-0844263-B1 Catalytic mixture for ring-opening metathesis polymerization CIBA SC HOLDING AG (CH) 2003-01-15 EP claimed
EP-0844264-B1 Catalytic mixture for ring-opening metathesis polymerization CIBA SC HOLDING AG (CH) 2003-01-08 EP claimed
EP-0808338-B1 POLYMERISABLE COMPOSITION, PROCESS FOR PRODUCING CROSS-LINKED POLYMERS, AND CROSS-LINKABLE POLYMERS CIBA SC HOLDING AG (CH) 1999-11-17 EP claimed
EP-0807137-B1 POLYMERISABLE COMPOSITION, PROCESS FOR PRODUCING CROSS-LINKED POLYMERS, AND CROSS-LINKABLE POLYMERS CIBA GEIGY AG (CH) 1999-08-04 EP claimed