SCHEMBL9587789

SCHEMBL9587789

CC1=CC(O)OC(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
MAOB P27338 4/20 0.36
DRD1 P21728 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL27165400 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL3228648 0.80 TSHR (0.42) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL22335739 0.79 TSHR (0.40) TSHRMAOBKDM4EHSD17B10MAPT
SCHEMBL1471824 0.67 TSHR (0.48) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL29626009 0.67 TSHR (0.48) TSHRCHRM2CHRM4CHRM1CHRM3
SCHEMBL12354301 0.66 MEN1 (0.43) TSHRCYP2C19
SCHEMBL1472469 0.66 CYP2C19 (0.33) TSHRMAOBCYP2C19SLC6A2SLC6A3
SCHEMBL27165432 0.66 CYP2C19 (0.33) TSHRMAOBCYP2C19SLC6A2SLC6A3
SCHEMBL7735004 0.64 TSHR (0.41) TSHRCHRM4CHRM3MAPTSLC6A2
SCHEMBL13044960 0.64 MAOB (0.49) MAOBKDM4EHSD17B10CYP19A1POLB

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-3209376-A None JP disclosed
US-5250710-A Dihydropyran derivatives, processes for preparation and use RHONE-POULENC NUTRITION ANIMALE (FR) 1993-10-05 US disclosed
US-5157133-A Vitamin A and E precursors RHONE-POULENC NUTRITION ANIMALE (FR) 1992-10-20 US disclosed
JP-H03209376-A DIHYDROPYRAN DERIVATIVE, PROCESS FOR PREPARATION AND USE RHONE POULENC NUTRITION ANIMAL 1991-09-12 JP disclosed