SCHEMBL30503501

SCHEMBL30503501

CC(C)(C)NC(=O)O.CCCCOC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 4/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
TSHR P16473 3/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX1 P07099 1/20 0.37
CYP2C19 P33261 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36

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
Bicarbonate SCHEMBL7632521 0.81 ALDH1A1 (0.56) ALDH1A1ALOX15RAB9AMAPTNPSR1
SCHEMBL42522 0.81
Benzene SCHEMBL27766013 0.79 LMNA (0.55) ALDH1A1ALOX15RAB9AMAPTNPSR1
Phosphine SCHEMBL28287744 0.79
Urea SCHEMBL27867524 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15RAB9AMAPTNPSR1
Ethane SCHEMBL28008042 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15RAB9AMAPTNPSR1
SCHEMBL9562066 0.79 ALDH1A1 (0.58) ALDH1A1ALOX15RAB9AMAPTNPSR1
Hydrochloric Acid SCHEMBL10429397 0.79
Ammonia Solution, Strong SCHEMBL27843243 0.79
Ethyne SCHEMBL8587147 0.77 ALDH1A1 (0.56) ALDH1A1ALOX15RAB9AMAPTNPSR1

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-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed