SCHEMBL27952950

SCHEMBL27952950

CCC(CN)CCOC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 3/20 0.42
ALOX15 P16050 1/20 0.41
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
PGR P06401 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
TBXA2R P21731 1/20 0.38
CHRNA7 P36544 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9846050 0.87 ALDH1A1 (0.50) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL8768534 0.82 ALDH1A1 (0.50) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL3205425 0.80 ALDH1A1 (0.50) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL28756652 0.80 ALDH1A1 (0.43) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL9439183 0.78 ALDH1A1 (0.57) ALDH1A1TDP1TSHRLMNAHSD17B10
SCHEMBL25340980 0.77 ALOX15 (0.46) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL27589187 0.77 ALDH1A1 (0.55) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL9893498 0.77 ALOX15 (0.42) ALDH1A1TDP1TSHRALOX15LMNA
SCHEMBL27570547 0.76 ALDH1A1 (0.53) ALDH1A1TDP1TSHRLMNACYP3A4
SCHEMBL25338387 0.76 ALOX15 (0.41) ALDH1A1TDP1TSHRALOX15LMNA

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-103665378-A Transparent polyamide-imides EMS PATENT AG 2014-03-26 CN disclosed