SCHEMBL26563282

SCHEMBL26563282

Cc1ccc(Oc2ccc(C(=O)O)cc2C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
TTR P02766 2/20 0.54
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MMP13 P45452 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SRD5A2 P31213 1/20 0.47
GFER P55789 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
MYC P01106 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL10148365 0.88 TTR (0.69) RXRATTRALDH1A1CA12CA1
SCHEMBL26563555 0.87 RXRA (0.56) RXRATTRCA12CA1CA2
SCHEMBL272042 0.86 CA12 (0.57) RXRATTRALDH1A1CA12CA1
SCHEMBL26563278 0.84 TDP1 (0.58) ALDH1A1MMP13CA12CA1CA2
SCHEMBL27373055 0.84 MRGPRX4 (0.55) RXRATTRALDH1A1SMN1; SMN2MMP13
SCHEMBL21628442 0.84 MAPK1 (0.61) RXRATTRALDH1A1SMN1; SMN2MMP13
SCHEMBL15010998 0.83 TTR (0.54) RXRATTRALDH1A1CA12CA1
SCHEMBL24469100 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAATSHRRAB9A
SCHEMBL12531441 0.81 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAATSHRRAB9A
SCHEMBL8632254 0.81 TTR (0.55) RXRATTRALDH1A1SMN1; SMN2MMP13

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
WO-2023183405-A2 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed