SCHEMBL8103942

SCHEMBL8103942

CCCCCCOC(C)OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.43
NAAA Q02083 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PRKCA P17252 2/20 0.41
DNM1 Q05193 1/20 0.41
FAAH O00519 1/20 0.40
EPHX1 P07099 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL5192045 1.00 CES2 (0.46) CES2LMNATSHRNAAAALDH1A1
SCHEMBL133243 0.92 ALDH1A1 (0.50) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3389849 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3393592 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3393797 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3389814 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3391088 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3391092 0.92 TSHR (0.44) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL28961008 0.90 ALDH1A1 (0.48) CES2LMNATSHRALDH1A1PRKCA
SCHEMBL3390286 0.90 TSHR (0.46) CES2LMNATSHRALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000044405-A PEST CONTROLLING AGENT UBE IND LTD 2000-02-15 JP disclosed
US-4163670-A PYRAZOLONE COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1979-08-07 US disclosed
US-4138258-A NONDIFFUSING CYAN COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1979-02-06 US disclosed
US-4046573-A COLOR PHOTOGRAPHIC MATERIALS FUJI PHOTO FILM CO., LTD. (JA) 1977-09-06 US disclosed