SCHEMBL31056823

SCHEMBL31056823

O=Cc1c(O)ccc(C(=O)O)c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.45
SELP P16109 1/20 0.45
ERN1 O75460 5/20 0.43
PTPN1 P18031 3/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
TSHR P16473 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN6 P29350 1/20 0.39
APP P05067 4/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HMGB1 P09429 1/20 0.38

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
SCHEMBL17740051 0.82 SELL (0.50) SELLSELPERN1PTPN1CA12
SCHEMBL5311396 0.79 ERN1 (0.50) ERN1PTGS2KDM4E
SCHEMBL5604770 0.77 SELL (0.54) SELLSELPPTPN1CA12CA1
SCHEMBL12760782 0.76 SELL (0.59) SELLSELPERN1PTPN1CA12
SCHEMBL2371278 0.75 ERN1 (0.47) ERN1PTGS2KDM4E
SCHEMBL9787539 0.75 SELL (0.64) SELLSELPPTPN1CA12CA1
SCHEMBL12760904 0.74 ERN1 (0.49) SELLSELPERN1PTPN1CA12
SCHEMBL29981799 0.73 CYP1A2 (0.58) SELLSELPPTPN1CA12CA1
SCHEMBL1372033 0.73 CYP1A2 (0.58) SELLSELPPTPN1CA12CA1
SCHEMBL1527105 0.73 ERN1 (0.71) SELLSELPERN1PTPN1ALDH1A1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed