SCHEMBL9260856

SCHEMBL9260856

CCOC(=O)CO[C@H]1CC[C@H](CCNS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 3/20 0.48
TBXA2R P21731 2/20 0.46
THRB P10828 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9260852 1.00 TSHR (0.50) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9262808 0.89 ALDH1A1 (0.48) TSHRSMN1; SMN2ALDH1A1POLBTP53
SCHEMBL9260495 0.88 MEN1 (0.53) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9254047 0.87 TBXA2R (0.49) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9266948 0.87 TBXA2R (0.49) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9254044 0.87 TBXA2R (0.49) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9738306 0.86 TBXA2R (0.48) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9261538 0.85 ALDH1A1 (0.50) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9252366 0.85 MMP1 (0.48) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9261137 0.84 MEN1 (0.58) TSHRMEN1KMT2ASMN1; SMN2ALDH1A1

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