SCHEMBL18671985

SCHEMBL18671985

CCC(c1ccc(OC(C)(C)CC)cc1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE2A O00408 1/20 0.33
ESR1 P03372 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MIF P14174 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10248838 0.86 PDE2A (0.31) PDE2A
SCHEMBL12347397 0.84 PDE2A (0.33) PDE2A
SCHEMBL18467472 0.84 PDE2A (0.30) PDE2A
SCHEMBL15869196 0.82 PDE2A (0.35) PDE2AESR1HIF1AALDH1A1TSHR
SCHEMBL15869208 0.82 SLC2A1 (0.37) PDE2AESR1HIF1AALDH1A1TSHR
SCHEMBL133972 0.82 TSHR (0.41) ALDH1A1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL825496 0.81 ALDH1A1 (0.47) CYP2C9HSD17B10PDE2AALDH1A1TSHR
SCHEMBL17402207 0.81 ALDH1A1 (0.41) PDE2AALDH1A1TSHRCYP1A2
SCHEMBL18478346 0.80 PDE2A (0.32) PDE2AESR1HIF1A
SCHEMBL18372579 0.79 ELANE (0.49) PDE2AESR1HIF1AALDH1A1TSHR

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-9604921-B2 Sulfonium salt, resist composition and resist pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-28 US disclosed