SCHEMBL13248693

SCHEMBL13248693

Cc1cc(C)n(C(=O)NCCO)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 3/20 0.47
ASAH1 Q13510 1/20 0.47
TP53 P04637 1/20 0.44
ENPP3 O14638 3/20 0.44
ALPL P05186 3/20 0.44
XIAP P98170 3/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL32666117 0.91 TSHR (0.56) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL3810000 0.87 ASAH1 (0.60) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL32666111 0.87 ASAH1 (0.60) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19487102 0.83 TSHR (0.54) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL24977106 0.81 ASAH1 (0.70) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL19728236 0.81 ASAH1 (0.70) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL15911114 0.81 TSHR (0.53) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL26710781 0.80 TSHR (0.49) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL32666115 0.80 TSHR (0.51) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL14031946 0.79 TSHR (0.48) TSHRALDH1A1MEN1KMT2ACYP1A2

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
US-20100179287-A1 WATER/OIL REPELLENT COMPOSITION AND ARTICLE ASAHI GLASS COMPANY, LIMITED (JP) 2010-07-15 US disclosed