SCHEMBL8735952

SCHEMBL8735952

CCc1c(C(=O)O)cc(O)c(O)c1OS

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.34
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HMGB1 P09429 1/20 0.33
CXCL12 P48061 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MCL1 Q07820 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CA3 P07451 1/20 0.33
SELL P14151 1/20 0.33
HPGD P15428 1/20 0.33
SELP P16109 1/20 0.33
FUT4 P22083 1/20 0.33

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
SCHEMBL39598 0.79 SELL (0.42) THRBALDH1A1MAPTTDP1HMGB1
SCHEMBL5152690 0.77 MCL1 (0.42) MCL1TP53
SCHEMBL10782332 0.76 HSD17B10 (0.40) THRBPTGS2ALDH1A1MAPTTDP1
SCHEMBL11121112 0.73 HSD17B10 (0.43) THRBALDH1A1MAPTTDP1HMGB1
SCHEMBL31324071 0.73 HSD17B10 (0.43) THRBALDH1A1MAPTTDP1HMGB1
SCHEMBL27847670 0.71 KDM4E (0.42) THRBPTGS2ALDH1A1MAPTTDP1
SCHEMBL7737317 0.71 PTPN1 (0.40) THRBALDH1A1TDP1HMGB1CXCL12
SCHEMBL3787270 0.70 PTPN1 (0.40) THRBPTGS2ALDH1A1TDP1MCL1
SCHEMBL15668658 0.70 AKR1C2 (0.44) THRBMCL1SMN1; SMN2
SCHEMBL28382103 0.70 ALDH1A1 (0.40) ALDH1A1MCL1

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-0850987-A1 Improved PVC foam compositions MORTON INTERNATIONAL, INC. (US) 1998-07-01 EP disclosed