SCHEMBL28040128

SCHEMBL28040128

[CH2]C(C[N+](C)(C)C)NC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
CRAT P43155 1/20 0.38
TSHR P16473 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM1 P11229 2/20 0.35
TBXA2R P21731 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
BLM P54132 1/20 0.34
SLC22A16 Q86VW1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
CPT2 P23786 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
SCHEMBL4779976 0.82 TGFBR1 (0.46) TGFBR1CRATTSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL368659 0.80 TGFBR1 (0.44) TGFBR1CRATTSHRCHRM2CHRM4
SCHEMBL28103168 0.77 TGFBR1 (0.48) TGFBR1TSHRKDM4EALDH1A1RXFP1
SCHEMBL14341633 0.71 MAPT (0.39) TGFBR1CRATTSHRCHRM2CHRM4
SCHEMBL10446085 0.71 MAPT (0.36) TGFBR1CRATTSHRCHRM2CHRM4
SCHEMBL26390721 0.70 TGFBR1 (0.36) TGFBR1KDM4EALDH1A1
SCHEMBL7561035 0.70 TGFBR1 (0.39) TGFBR1CRATTSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL5675300 0.69 MAPT (0.42) TGFBR1CRATTSHRCHRM2CHRM4
Hydrochloric Acid SCHEMBL3805740 0.69 TGFBR1 (0.42) TGFBR1CHRM2CHRM4CHRM1TBXA2R
SCHEMBL27785343 0.69

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-105102395-A Laminated glass KONICA MINOLTA INC 2015-11-25 CN disclosed