SCHEMBL28564115

SCHEMBL28564115

O=C(O)c1cc(C(=O)O)cc(C(=O)O)c1.c1cnnnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
HCAR2 Q8TDS4 2/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
TPMT P51580 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NAPRT Q6XQN6 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CA3 P07451 1/20 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
Benzoic Acid SCHEMBL28967580 0.83 NAPRT (0.67) TSHRHCAR2ALDH1A1NAPRTKDM4E
Benzene SCHEMBL20211008 0.81 CA12 (0.61) TSHRALOX15HIF1ACA12CA1
Bicarbonate SCHEMBL9005252 0.78 CA1 (0.36) CA1CA2CA9HCAR2NAPRT
Benzene SCHEMBL27305325 0.78 CA12 (0.58) TSHRALOX15HIF1ACA12CA1
SCHEMBL22982 0.78 CA12 (0.65) TSHRALOX15HIF1ACA12CA1
SCHEMBL26189 0.78 CA12 (0.65) TSHRALOX15HIF1ACA12CA1
Bicarbonate SCHEMBL29455645 0.75 CA1 (0.33) CA1CA2CA9NAPRT
SCHEMBL23004950 0.74 CA12 (0.61) TSHRALOX15HIF1ACA12CA1
SCHEMBL1556954 0.74 CA12 (0.61) TSHRALOX15HIF1ACA12CA1
SCHEMBL15789102 0.74 CA12 (0.61) TSHRALOX15HIF1ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150660-A Antirust alkyd primer 广东美涂士建材股份有限公司 2021-07-23 CN claimed
CN-112831226-A Chlorinated rubber finish paint 广东美涂士建材股份有限公司 2021-05-25 CN claimed
CN-113150660-A Antirust alkyd primer 广东美涂士建材股份有限公司 2021-07-23 CN disclosed
CN-112831226-A Chlorinated rubber finish paint 广东美涂士建材股份有限公司 2021-05-25 CN disclosed