SCHEMBL9670566

SCHEMBL9670566

COC(=O)c1ccc(SCCCN(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.53
THRB P10828 1/20 0.53
GAA P10253 1/20 0.49
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.45
RAB9A P51151 2/20 0.45
PHLPP2 Q6ZVD8 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CYP4A11 Q02928 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 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
Iodomethane SCHEMBL9670786 0.84 PHLPP2 (0.58) THRATHRBGAAMAPTALDH1A1
SCHEMBL6057646 0.84 THRB (0.58) THRATHRBGAAMAPTALDH1A1
Hydrochloric Acid SCHEMBL6057774 0.83 THRB (0.57) THRATHRBGAAMAPTALDH1A1
SCHEMBL9673198 0.83 CYP4A11 (0.58) MAPTALDH1A1KMT2ARAB9ACA1
SCHEMBL9672930 0.81 THRB (0.56) THRATHRBGAAALDH1A1KMT2A
SCHEMBL15191795 0.81 MAPT (0.49) THRATHRBMAPTALDH1A1KMT2A
SCHEMBL3712221 0.81 MAPT (0.49) GAAMAPTALDH1A1KMT2ARAB9A
SCHEMBL10366608 0.81 KMT2A (0.53) THRATHRBMAPTALDH1A1KMT2A
SCHEMBL9672217 0.81 HRH3 (0.59) THRATHRBGAAMAPTALDH1A1
SCHEMBL7608758 0.81 MAPT (0.51) MAPTALDH1A1KMT2ARAB9ACA1

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-5093370-A Useful prior to insertion of tracheotomy tube or discission TOBISHI YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1992-03-03 US disclosed