SCHEMBL7965270

SCHEMBL7965270

Cc1ccc(C2(c3ccc(-c4c(Cl)ccc5ccccc45)cc3)OC(=O)C(O)=C2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.47
TYMS P04818 2/20 0.47
GPR84 Q9NQS5 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RET P07949 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
KDR P35968 1/20 0.33
HTT P42858 1/20 0.33
SIRT1 Q96EB6 1/20 0.32

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
SCHEMBL7955950 0.92 DHFR (0.49) DHFRTYMSUTS2RMMP2MMP3
SCHEMBL7956310 0.83 DHFR (0.44) DHFRTYMSNPC1RAB9AUTS2R
SCHEMBL6026268 0.78 CFTR (0.39) TYMSNPC1RAB9AMMP2MMP3
SCHEMBL7971973 0.75 GPR84 (0.39) DHFRTYMSGPR84MMP2MMP3
SCHEMBL7968559 0.74 DHFR (0.39) DHFRTYMSNPC1UTS2RTP53
SCHEMBL7586371 0.71 AKR1C2 (0.41) DHFRTYMSLMNAALOX12
SCHEMBL6934449 0.71 AKR1C2 (0.41) DHFRTYMSLMNAALOX12
SCHEMBL7966642 0.70 CYP1A2 (0.41) DHFRTYMSNPC1RAB9AMMP2
SCHEMBL6932601 0.69 CFTR (0.43) DHFRTYMSMMP2MMP3MMP9
SCHEMBL6026174 0.68 ESR2 (0.40) TYMSMMP2MMP3MMP9LMNA

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-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed