SCHEMBL27462201

SCHEMBL27462201

CC(=O)OC(C)[CH]N1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ABCB1 P08183 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL10588321 0.74
SCHEMBL4192409 0.71 TSHR (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1177685 0.70 HSD17B10 (0.32) MAPT
Hydrochloric Acid SCHEMBL27915254 0.69 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL6039711 0.69 HSD17B10 (0.38) MAPT
SCHEMBL4187442 0.68 TSHR (0.44) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7710232 0.68 TSHR (0.39) TSHRABCB1NPSR1MAPT
Cyclohexane SCHEMBL1659384 0.68 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
Cyclohexane SCHEMBL6963396 0.68 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL29860909 0.68 TSHR (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R

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
CN-1135221-A Urethane-containing aminosteroid compounds PROCTER & GAMBLE (US) 1996-11-06 CN disclosed