SCHEMBL10909514

SCHEMBL10909514

CC(O)C[N+](C)(C)C.CCC(C(=O)O)(C(=O)O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SLC22A16 Q86VW1 1/20 0.34
TSHR P16473 2/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM1 P11229 2/20 0.33
TBXA2R P21731 1/20 0.33
LMNA P02545 2/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
GALR3 O60755 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
Tetramethylammonium Ion SCHEMBL10907818 0.84 MEN1 (0.30)
SCHEMBL2233286 0.82 ALDH1A1 (0.33) TSHRCHRM1CHRM3
SCHEMBL28831783 0.81 MAPT (0.41) MAPTSLC22A16TSHRCHRM2CHRM4
SCHEMBL28315830 0.80 ALDH1A1 (0.32) TSHR
SCHEMBL10907823 0.80 ALDH1A1 (0.32) TSHR
SCHEMBL28315616 0.80 ALDH1A1 (0.32) TSHR
SCHEMBL28315588 0.80 CYP1A2 (0.32) TSHR
SCHEMBL21269713 0.80 ALDH1A1 (0.32) TSHR
SCHEMBL21268935 0.80 ALDH1A1 (0.32) TSHR
Pivalate SCHEMBL2354481 0.78 MAPT (0.45) MAPTSLC22A16TSHRCHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4632785-A CARBOXYLIC ACID AMINE SALT; STORAGE STABILITY OF ISOCYANATE PREMIXES THE DOW CHEMICAL COMPANY (US) 1986-12-30 US disclosed
US-4540781-A Product and process trimerization of organic isocyanates THE UPJOHN COMPANY (US) 1985-09-10 US disclosed