SCHEMBL7965561

SCHEMBL7965561

CC1(c2ccc(-c3ccc(Cl)cc3Cl)cc2)OC(=O)C(O)=C1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
SRD5A2 P31213 1/20 0.41
CNR1 P21554 8/20 0.41
CNR2 P34972 8/20 0.41
KCNH2 Q12809 2/20 0.37
MARS1 P56192 5/20 0.36
AHR P35869 1/20 0.36
PTGES O14684 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL7969034 0.85 ALDH1A1 (0.38) PTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL7593441 0.85 ALDH1A1 (0.38) PTGS2ALDH1A1HPGDSMN1; SMN2
SCHEMBL7984729 0.83 CHRNA1 (0.39) PTGS2ALDH1A1HPGD
SCHEMBL6026477 0.83 CHRNA1 (0.39) PTGS2ALDH1A1HPGD
SCHEMBL6026165 0.78 HSD17B1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6932927 0.76 CHRNA1 (0.42) PTGS2NPC1ALDH1A1HPGDRAB9A
SCHEMBL7983353 0.76 CHRNA1 (0.42) PTGS2NPC1ALDH1A1HPGDRAB9A
SCHEMBL6931685 0.74 PGR (0.43) PTGS2AHRALDH1A1
SCHEMBL6934036 0.74 PTGS2 (0.37) PTGS2NPC1ALDH1A1TSHRRAB9A
SCHEMBL7030070 0.74 HCAR2 (0.46) PTGS2ALDH1A1TSHR

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