SCHEMBL17899124

SCHEMBL17899124

CC(O)(c1ccc2ccccc2c1O)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
KCNJ11 Q14654 14/20 0.50
ABCC9 O60706 7/20 0.50
ABCC8 Q09428 7/20 0.50
KCNJ8 Q15842 7/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL589730 0.82 HPGD (0.67) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL14703304 0.80 KCNJ11 (0.46) HPGDHSD17B10KCNJ11ABCC9ABCC8
SCHEMBL22473836 0.80 HSD17B10 (0.59) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL7304753 0.80 HSD17B10 (0.59) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL2220947 0.80 HSD17B10 (0.59) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL5596451 0.77 HSD17B10 (0.56) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL23861465 0.76 CYP1A2 (0.51) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL8384856 0.75 HSD17B10 (0.59) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL11954780 0.75 CYP1A2 (0.58) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL23861600 0.75 PTPN22 (0.53) HPGDHSD17B10CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9995719-B2 Methods and devices for selective deposition of materials including mechanical abrasion MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-06-12 US disclosed
US-9459222-B2 Methods for deposition of materials including mechanical abrasion MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-10-04 US disclosed
US-20160195504-A1 METHODS AND DEVICES FOR DEPOSITION OF MATERIALS ON PATTERNED SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-07-07 US disclosed