SCHEMBL8164689

SCHEMBL8164689

COc1ccc2cc(C(=O)O)ccc2c1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA7 P43166 1/20 0.57
TPMT P51580 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
KDM4E B2RXH2 1/20 0.54
NCEH1 Q6PIU2 7/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
RARA P10276 2/20 0.51
RARB P10826 2/20 0.51
RARG P13631 2/20 0.51
TSHR P16473 2/20 0.50
TTR P02766 1/20 0.48

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
SCHEMBL7736295 0.88 NCEH1 (0.53) NCEH1LMNACYP19A1CYP11B1CYP11B2
SCHEMBL4674412 0.86 NCEH1 (0.52) CA12CA1CA2CA4CA6
SCHEMBL7469108 0.85 CYP1A2 (0.65) KDM4ENCEH1HTTLMNAMAPK1
SCHEMBL11806099 0.85 NCEH1 (0.49) CA12CA1CA2CA4CA6
SCHEMBL7772381 0.84 MEN1 (0.51) KDM4ENCEH1LMNARAB9ACYP19A1
SCHEMBL7741795 0.83 NCEH1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL7741792 0.83 NCEH1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL7572866 0.83 TPMT (0.59) CA12CA1CA2CA4CA6
SCHEMBL7776625 0.82 ALDH1A1 (0.53) NCEH1LMNACYP19A1CYP11B1CYP11B2
SCHEMBL9782904 0.82 ALDH1A1 (0.53) NCEH1LMNACYP19A1CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977723-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYARENECARBOXYLIC ACIDS Finetech Ltd (IL) 2000-02-09 EP disclosed
WO-1998047853-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYARENECARBOXYLIC ACIDS FINETECH LTD. (IL) 1998-10-29 WO disclosed