SCHEMBL9511273

SCHEMBL9511273

CCc1ccccc1-c1cc(C(=O)O)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 2/20 0.54
TTR P02766 2/20 0.52
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
LTB4R Q15722 1/20 0.45

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
SCHEMBL8406653 0.82 RXRA (0.61) ALDH1A1MRGPRX4MAPTCYP2C9
SCHEMBL23479774 0.82 LMNA (0.61) LMNACA12CA1CA2CA4
SCHEMBL8797195 0.80 TTR (0.49) LMNACA12CA1CA2CA4
SCHEMBL11598781 0.80 TSHR (0.49) LMNATSHRTTRRAB9AALDH1A1
SCHEMBL402416 0.80 CA12 (0.62) LMNACA12CA1CA2CA4
SCHEMBL406852 0.79 TTR (0.45) LMNATSHRTTRRAB9APTGDR2
SCHEMBL7368821 0.79 CA12 (0.67) LMNACA12CA1CA2CA4
SCHEMBL9285065 0.78 HDAC4 (0.59) LMNACA12CA1CA2CA7
SCHEMBL8889851 0.78 LMNA (0.54) LMNACA12CA1CA2CA4
SCHEMBL410382 0.78 TSHR (0.56) LMNATSHRTTRTDP1ALDH1A1

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-0379290-B1 Flux composition COOKSON GROUP PLC (GB) 1993-10-27 EP claimed