SCHEMBL9825628

SCHEMBL9825628

O=C(OCc1ccccc1)N(CC1CC(Br)=NO1)C(=O)[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.40
CTSC P53634 1/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 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
SCHEMBL9827156 0.84 TGM2 (0.49) TGM2LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL4598760 0.78 TGM2 (0.45) TGM2LMNASMN1; SMN2TSHRITGB3
SCHEMBL4934061 0.75 TGM2 (0.49) TGM2ITGB3ITGA2B
SCHEMBL4934993 0.75 TGM2 (0.49) TGM2ITGB3ITGA2B
SCHEMBL4598577 0.74 TGM2 (0.44) TGM2SMN1; SMN2ITGB3ITGA2B
SCHEMBL9201637 0.73 CHRM1 (0.42) LMNASMN1; SMN2TSHR
SCHEMBL4598860 0.72 TGM2 (0.42) TGM2LMNASMN1; SMN2ITGB3ITGA2B
SCHEMBL9826313 0.72 TGM2 (0.42) TGM2ITGB3ITGA2B
SCHEMBL9825676 0.72 TGM2 (0.47) TGM2TSHRITGB3ITGA2B
SCHEMBL4950332 0.71 TGM2 (0.47) TGM2TSHRITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP claimed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed