SCHEMBL10712969

SCHEMBL10712969

NC(=O)c1cc2c(o1)C=CCO2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
STS P08842 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL30387165 0.64 TSHR (0.53) STSTSHR
SCHEMBL786065 0.64 TSHR (0.53) STSTSHR
SCHEMBL6649922 0.64 STS (0.54) STSTSHR
SCHEMBL1741969 0.64 NOTUM (0.38) CA1CA9STSTSHR
SCHEMBL1815150 0.63 CYP1A2 (0.43) CA1CA9STSCYP1A2CYP1B1
SCHEMBL6956048 0.63 STS (0.45) STSTSHR
SCHEMBL5760523 0.61 PARP1 (0.42) TSHRCYP1A2CYP1B1
Urea SCHEMBL28536729 0.61 STS (0.43) CA1CA9STSTSHRCYP1A2
Carbamic Acid SCHEMBL19873345 0.60 STS (0.42) CA1CA9STSTSHRCYP1A2
SCHEMBL12867821 0.60 ALDH1A1 (0.38)

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
EP-0122183-B1 MECHANICAL SUPPORT MODULE FOR NUCLEIC ACID ASSOCIATION AU SOUTIEN DES CHERCHEURS EXPERIMENTALISTES - A.S.C.E. (FR) 1988-01-07 EP claimed