SCHEMBL30711153

SCHEMBL30711153

CC(C)(C)OC(=O)Cc1nn(CCC(=O)O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ FABP3 P05413 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ AKR1B1 P15121 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ KMO O15229 2/20 0.42
▸ EGLN3 Q9H6Z9 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ S1PR2 O95136 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL30711161 0.82 SLC16A3 (0.48) SLC16A3KDM4ETSHRHSD17B10FABP3
SCHEMBL19410197 0.81 SLC16A3 (0.46) SLC16A3KDM4EAKR1B1MAPTRECQL
SCHEMBL19410131 0.78 SLC16A3 (0.43) SLC16A3KDM4EAKR1B1MAPTRECQL
SCHEMBL23908941 0.76 KDM4E (0.46) SLC16A3KDM4ETSHRHSD17B10AKR1B1
SCHEMBL22061004 0.74 MAPT (0.55) SLC16A3HSD17B10AKR1B1MAPTS1PR2
SCHEMBL23909094 0.73 MAPT (0.64) TSHRAKR1B1MAPTRECQLALDH1A1
SCHEMBL23909083 0.73 KDM4E (0.51) SLC16A3KDM4ETSHRHSD17B10MAPT
SCHEMBL19410138 0.72 SLC16A3 (0.46) SLC16A3KDM4ETSHRHSD17B10MAPT
SCHEMBL19410139 0.72 SLC16A3 (0.46) SLC16A3KDM4ETSHRHSD17B10MAPT
SCHEMBL30711162 0.72 SLC16A3 (0.46) SLC16A3KDM4ETSHRHSD17B10MAPT

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
CN-110997698-B Immunomodulatory agents acting as PD-1 antagonists 百时美施贵宝公司 2023-12-26 — — CN disclosed
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