SCHEMBL11682174

SCHEMBL11682174

CCOC(=O)C(C)(C(=O)OCC)c1cnc(C2CCCC2)cn1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ MAPT P10636 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
SCHEMBL11679409 0.99 ABL1 (0.36) CNR2CSNK1DABL1GPR119ALDH1A1
SCHEMBL11680128 0.81 CNR2 (0.36) CNR2CSNK1DABL1ALDH1A1ALOX15
SCHEMBL20271074 0.80 HSD17B10 (0.41) CNR2GPR119ALOX15HSD17B10DGAT1
SCHEMBL11678479 0.80 CNR2 (0.37) CNR2CSNK1DABL1ALDH1A1ALOX15
SCHEMBL11679469 0.73 SMN1; SMN2 (0.43) HPGDTSHRCYP2C19MAPT
SCHEMBL11678789 0.72 CSNK1D (0.37) CSNK1DALDH1A1HSD17B10HPGDTSHR
SCHEMBL11681178 0.72 CNR2 (0.39) CNR2CSNK1DALDH1A1HSD17B10HPGD
SCHEMBL11679984 0.72 RAB9A (0.45) ALDH1A1HSD17B10HPGDLMNACYP2C19
SCHEMBL11676546 0.71 CNR2 (0.39) CNR2CSNK1DALDH1A1HPGDSLC22A12
SCHEMBL11678968 0.71 ALDH1A1 (0.38) CSNK1DABL1ALDH1A1HPGDTSHR

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
Send feedback