SCHEMBL28540211

SCHEMBL28540211

NOC(=O)c1ccccc1O.[CaH2]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
LMNA P02545 3/20 0.61
HPGD P15428 7/20 0.57
HSD17B10 Q99714 6/20 0.57
ALOX15 P16050 1/20 0.57
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
HMGB1 P09429 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL574618 0.98 TSHR (0.63) TSHRLMNAHPGDHSD17B10ALOX15
Water SCHEMBL19915275 0.96 TSHR (0.61) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL734992 0.96 TSHR (0.61) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL734993 0.96 TSHR (0.61) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL679492 0.84 TSHR (0.50) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL16598169 0.80 LMNA (0.63) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL10203414 0.79 LMNA (0.68) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL3908136 0.79 LMNA (0.68) TSHRLMNAHPGDHSD17B10ALOX15
SCHEMBL29525350 0.79 LMNA (0.68) TSHRLMNAHPGDHSD17B10ALOX15
Salicylic Acid SCHEMBL8206603 0.79 ALDH1A1 (0.58) 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
CN-212882395-U High-efficient reation kettle is used in amino calcium salicylate production 漯河启福医药科技有限公司 2021-04-06 CN disclosed
CN-212882395-U High-efficient reation kettle is used in amino calcium salicylate production 漯河启福医药科技有限公司 2021-04-06 CN disclosed