SCHEMBL8854133

SCHEMBL8854133

CC(C)(C)OC(=O)NCCN(CC(=O)O)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ DRD2 P14416 5/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ PNMT P11086 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TPSAB1 Q15661 1/20 0.33
▸ TPSD1 Q9BZJ3 1/20 0.33
▸ TPSG1 Q9NRR2 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ SUCNR1 Q9BXA5 1/20 0.32
▸ RPS6KA1 Q15418 1/20 0.32

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
SCHEMBL5557639 0.84 NQO2 (0.46) NQO2DRD2MALT1IDO1SIGMAR1
SCHEMBL7641059 0.82 PNMT (0.42) DRD2PNMTNPC1RAB9A
Hydrochloric Acid SCHEMBL8854105 0.80 PNMT (0.46) DRD2PNMTNPC1RAB9A
SCHEMBL2685379 0.80 SYK (0.50) CKS1BSKP1SKP2IDO1SIGMAR1
SCHEMBL23326948 0.79 DRD2 (0.37) DRD2NAMPTPNMTNPC1RAB9A
SCHEMBL29714037 0.78 TGM2 (0.41) NQO2MALT1KCNA5SYK
SCHEMBL28052241 0.78 NQO2 (0.39) NQO2CKS1BSKP1SKP2DRD2
SCHEMBL2861706 0.76 KMT2A (0.49) CKS1BSKP1SKP2MALT1IDO1
SCHEMBL31634803 0.76 PNMT (0.45) DRD2PNMTNPC1RAB9ATPSAB1
SCHEMBL30645718 0.76 TGM2 (0.46) —

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
US-5681838-A ALSO FOR SUPPRESSING CANCER CELL METASTASES AND BINDING OF OSTEOCLASTS TO BONE SURFACES HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-28 — — US disclosed
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