SCHEMBL9260495

SCHEMBL9260495

CCOC(=O)CC1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.50
TBXA2R P21731 4/20 0.48
THRB P10828 1/20 0.48
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9255813 0.94 MEN1 (0.52) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9266990 0.91 ALDH1A1 (0.50) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL9262713 0.89 GAA (0.54) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9260856 0.88 TSHR (0.50) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9261538 0.88 ALDH1A1 (0.50) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9260852 0.88 TSHR (0.50) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9261137 0.86 MEN1 (0.58) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9259923 0.86 CNR1 (0.44) MEN1KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL9259912 0.83 TBXA2R (0.54) MEN1KMT2ATSHRALDH1A1TBXA2R
SCHEMBL9253452 0.83 TBXA2R (0.54) MEN1KMT2ATSHRALDH1A1TBXA2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5407951-A Anticoagulants, muscle relaxants, bronchodilators BOEHRINGER MANNHEIM GMBH (DE) 1995-04-18 US disclosed
US-5140038-A Thromboxane A2 antagonists BOEHRINGER MANNHEIM GMBH (DE) 1992-08-18 US disclosed