SCHEMBL8505545

SCHEMBL8505545

C=CC(=O)OC(=O)c1ccccc1O.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 7/20 0.49
HSD17B10 Q99714 4/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGB1 P09429 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 3/20 0.42

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
Potassium SCHEMBL8505553 0.96 TSHR (0.52) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL29531388 0.87 CYP3A4 (0.52) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL5069944 0.87 CYP3A4 (0.52) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL29525350 0.80 LMNA (0.68) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL3908136 0.80 LMNA (0.68) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL335929 0.80 ALDH1A1 (0.52) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL29693542 0.80 ALDH1A1 (0.52) HPGDHSD17B10ALOX15KDM4EALDH1A1
SCHEMBL6754597 0.79 NPC1 (0.44) TSHRLMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL21694738 0.79 ALDH1A1 (0.58) TSHRHPGDHSD17B10ALOX15TDP1
SCHEMBL27537269 0.79 LMNA (0.52) TSHRLMNAHPGDHSD17B10ALOX15

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
US-5945457-A Process for preparing biologically compatible polymers and their use in medical devices A.V. TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESIS, RUSSIAN ACADEMY OF SCIENCE (RU) 1999-08-31 US disclosed
WO-1999016475-A2 PROCESS FOR PREPARING BIOLOGICALLY COMPATIBLE POLYMERS AND THEIR USE IN MEDICAL DEVICES A.V. TOPCHIEV INSTITUTE OF PETROCHEMICAL SYNTHESISRUSSIAN ACADEMY OF SCIENCE (US) 1999-04-08 WO disclosed