SCHEMBL9468340

SCHEMBL9468340

Cc1ccc[c]c1NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ELANE P08246 2/20 0.32
CTRB1 P17538 1/20 0.32
ACHE P22303 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
SCHEMBL21722466 0.78 IDO1 (0.39) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL11650552 0.71 MAPT (0.34) TSHRCYP3A4RECQLELANEACHE
SCHEMBL5249830 0.69 HPGD (0.43) TDP1TSHRALDH1A1LMNACYP3A4
SCHEMBL1505276 0.69 ALDH1A1 (0.35) TSHRALDH1A1LMNA
SCHEMBL10766968 0.68 ALDH1A1 (0.50) TDP1TSHRALDH1A1CYP3A4ALOX15
SCHEMBL2958797 0.67 TSHR (0.35) TSHRALDH1A1ACHE
SCHEMBL9437090 0.67 POLB (0.42) TSHRALDH1A1ALOX15HSD17B10
SCHEMBL10634679 0.67 TSHR (0.31) TSHRACHE
SCHEMBL11655942 0.66 ALDH1A1 (0.33) ALDH1A1LMNACYP3A4L3MBTL1
SCHEMBL10037103 0.66 TDP1 (0.44) TDP1TSHRALDH1A1LMNACYP3A4

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-5215570-A Plant safening agents CIBA-GEIGY CORPORATION (US) 1993-06-01 US disclosed