SCHEMBL9718653

SCHEMBL9718653

CC(C)OCC(C)(O)C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
CES1 P23141 2/20 0.41
PRSS1 P07477 2/20 0.40
CTSG P08311 2/20 0.40
CTRB1 P17538 2/20 0.40
CMA1 P23946 2/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTR1A P08908 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL9718636 0.81 SRC (0.53) SRCCES1PRSS1CTSGCTRB1
SCHEMBL4953088 0.77 SMN1; SMN2 (0.45) SRCCES1MAPK1TDP1TSHR
SCHEMBL11292363 0.76 CES1 (0.50) SRCCES1PRSS1CTSGCTRB1
SCHEMBL195379 0.76 CES1 (0.50) SRCCES1MAPK1TDP1TSHR
SCHEMBL9718654 0.75 KDM4E (0.46) SRCCES1TDP1TSHRALDH1A1
SCHEMBL10539332 0.75 SRC (0.44) SRCCES1PRSS1CTSGCTRB1
SCHEMBL2469739 0.75 SRC (0.44) SRCCES1PRSS1CTSGCTRB1
SCHEMBL8759046 0.74 SRC (0.48) SRCCES1MAPK1HIF1ATDP1
SCHEMBL4881466 0.73 HIF1A (0.52) SRCCES1MAPK1HIF1ATDP1
SCHEMBL7637171 0.73 SRC (0.47) SRCCES1PRSS1CTSGCTRB1

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