SCHEMBL9718709

SCHEMBL9718709

COC(C)(C)C(C)(O)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.55
SRC P12931 1/20 0.55
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CES2 O00748 3/20 0.40
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
ELANE P08246 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.39
DAO P14920 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
PDK1 Q15118 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK3 Q15120 2/20 0.38
PDK4 Q16654 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL11341422 0.83 CES1 (0.56) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL50469 0.80 CES1 (0.58) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL6694623 0.79 CES1 (0.52) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL10090157 0.78 CES1 (0.60) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL8332006 0.78 CES1 (0.60) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL25114 0.78 SRC (0.66) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL3661644 0.78 CES1 (0.60) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL10324232 0.77 CES1 (0.50) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL27980842 0.77 CES1 (0.50) CES1SRCTSHRTDP1ALDH1A1
SCHEMBL27794375 0.77 CES1 (0.50) CES1SRCTSHRTDP1ALDH1A1

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
US-5147901-A PROPIONPHENONE DERIVATIVES AS PHOTOINITIATORS FOR PHOTOPOLYMERIZATION CIBA-GEIGY CORPORATION (US) 1992-09-15 US disclosed
US-4795766-A OF ETHYLENICALLY UNSATURATED COMPOUNDS; PRINTING INK CIBA-GEIGY CORPORATION (US) 1989-01-03 US disclosed