SCHEMBL27624717

SCHEMBL27624717

C=C(C)C(=O)CCOC(C[N+](C)(C)C)OP(=O)(O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 1/20 0.33
SMPD1 P17405 3/20 0.31
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL9067567 0.82 THRB (0.41) SMPD1TSHRCHRM1
SCHEMBL9067673 0.80 TSHR (0.41) SMPD1TSHR
SCHEMBL9068417 0.80 TSHR (0.44) SMPD1TSHR
SCHEMBL9067328 0.78 TSHR (0.38) SMPD1TSHRCHRM2CHRM4CHRM1
SCHEMBL28151164 0.76 TSHR (0.37) BTN3A1SMPD1TSHRCHRM2CHRM4
SCHEMBL6276269 0.74 THRB (0.39) TSHR
SCHEMBL27557630 0.73 SMPD1 (0.43) SMPD1TSHRCHRM2CHRM4CHRM1
SCHEMBL5157841 0.70 TSHR (0.36) BTN3A1SMPD1TSHRCHRM2CHRM4
SCHEMBL1146679 0.70 BTN3A1 (0.44) BTN3A1TSHRCHRM2CHRM4CHRM1
SCHEMBL3673260 0.69 BTN3A1 (0.53) BTN3A1

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-1675535-A Analysis chip and analytical apparatus NIPPON ELECTRIC CO (JP) 2005-09-28 CN disclosed