SCHEMBL9752201

SCHEMBL9752201

CCOC(=O)CCc1c(C)cccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.49
CYP4A11 Q02928 3/20 0.49
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.45
GAA P10253 2/20 0.44
NLRP3 Q96P20 3/20 0.43
CHEK1 O14757 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
PTPN1 P18031 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 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
SCHEMBL16218017 0.89 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL27316608 0.86 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL11867095 0.86 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL27713100 0.85 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL27713106 0.85 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL28389311 0.82 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL535627 0.81 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1HSD17B10GAA
SCHEMBL20749115 0.81 NLRP3 (0.51) CYP4F2CYP4A11ALDH1A1GAANLRP3
SCHEMBL7307996 0.81 PPID (0.44) ALDH1A1HSD17B10NLRP3CHEK1L3MBTL1
Hydrochloric Acid SCHEMBL27559372 0.80 NLRP3 (0.47) CYP4F2CYP4A11ALDH1A1HSD17B10GAA

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
EP-0462262-A1 COPOLYMERIZED METHINE COLORANT-POLYESTER COLOR CONCENTRATES EASTMAN CHEMICAL COMPANY (US) 1991-12-27 EP disclosed
WO-1991010693-A1 COPOLYMERIZED METHINE COLORANT-POLYESTER COLOR CONCENTRATES EASTMAN KODAK COMPANY (US) 1991-07-25 WO disclosed