SCHEMBL7058772

SCHEMBL7058772

CCC=CC(C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GALR3 O60755 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 3/20 0.32
FFAR1 O14842 1/20 0.32
CYP19A1 P11511 1/20 0.32
RXRA P19793 1/20 0.32
PPARG P37231 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
LMNA P02545 4/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL14224932 1.00 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7753852 1.00 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14775433 0.84
SCHEMBL14775200 0.84
SCHEMBL6060562 0.83 GLO1 (0.31) TSHR
SCHEMBL28847936 0.83 TSHR (0.39) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14775434 0.83 ALDH1A1 (0.32) MAPTALDH1A1FFAR1CYP19A1RXRA
SCHEMBL9543118 0.83 FPR2 (0.31)
SCHEMBL9543124 0.83 FPR2 (0.31)
SCHEMBL28572548 0.82 ALDH1A1 (0.41) MAPTALDH1A1LMNAPRKCA

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-9931380-B2 Medicament for treating olfaction disorder KUBOKI Akihito (JP) 2018-04-03 US disclosed
US-20160243200-A1 MEDICAMENT FOR TREATING OLFACTION DISORDER KUBOKI Akihito (JP) 2016-08-25 US disclosed
WO-2003026423-A1 ATTRACTANT PHEROMONE FOR THE COLORADO POTATO BEETLE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2003-04-03 WO disclosed