SCHEMBL11680128

SCHEMBL11680128

CCOC(=O)C(C)(C(=O)OCC)c1cncc(C2CCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ CSNK1D P48730 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.33
▸ GAA P10253 1/20 0.33
▸ HMGCR P04035 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL11678479 0.99 CNR2 (0.37) CNR2CSNK1DHSD17B10GAAHMGCR
SCHEMBL11682174 0.81 CNR2 (0.36) CNR2CSNK1DHSD17B10ALOX15ALDH1A1
SCHEMBL11679409 0.80 ABL1 (0.36) CNR2CSNK1DHSD17B10GAAALOX15
SCHEMBL11679573 0.73 CSNK1D (0.36) CSNK1DHSD17B10GAAKDM4EALDH1A1
SCHEMBL11680104 0.73 MMP8 (0.45) HSD17B10GAAKDM4EALDH1A1HPGD
SCHEMBL19625290 0.73 HMGCR (0.40) CNR2HMGCRABL1
SCHEMBL11679862 0.72 ALDH1A1 (0.37) CSNK1DHSD17B10GAAKDM4EALDH1A1
SCHEMBL11682624 0.71 SCN10A (0.46) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL11679469 0.69 SMN1; SMN2 (0.43) KDM4EHPGDSMN1; SMN2POLBTSHR
SCHEMBL11681178 0.68 CNR2 (0.39) CNR2CSNK1DHSD17B10GAAKDM4E

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-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 — — US disclosed
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