SCHEMBL8999172

SCHEMBL8999172

COC(=O)C(C)(Cc1ccccc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 7/20 0.54
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPRA P18433 1/20 0.47
PTPRB P23467 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
KCNN4 O15554 1/20 0.44
RECQL P46063 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 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
SCHEMBL9691089 0.86 MMP8 (0.56) MMP8PTPN2PTPN1PTPRAPTPRB
SCHEMBL6117630 0.85 MMP8 (0.56) MMP8PTPN2PTPN1PTPRAPTPRB
SCHEMBL28354143 0.84 PTPRB (0.49) PTPRBSMN1; SMN2RECQLCYP3A4ALDH1A1
SCHEMBL27559394 0.82 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ARECQLCYP3A4
SCHEMBL8215905 0.82 SMN1; SMN2 (0.55) MMP8SMN1; SMN2HIF1ARECQLCYP3A4
Ammonia Solution, Strong SCHEMBL29079452 0.81 MMP8 (0.51) MMP8PTPN2PTPN1PTPRAPTPRB
SCHEMBL20241701 0.80 SMN1; SMN2 (0.58) MMP8PTPN2PTPN1PTPRAPTPRB
Carbamic Acid SCHEMBL27809934 0.80 PTPRB (0.47) MMP8PTPN2PTPN1PTPRAPTPRB
SCHEMBL20241700 0.80 SMN1; SMN2 (0.58) MMP8PTPN2PTPN1PTPRAPTPRB
SCHEMBL8745476 0.79 SLC6A2 (0.52) MMP8PTPN2PTPN1PTPRAPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6256278-A None JP disclosed
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
JP-H06256278-A OPTICALLY ACTIVE ALPHA-CARBAMOYLALKANOIC ACID DERIVATIVE AND ITS PRODUCTION NISSAN CHEM IND LTD 1994-09-13 JP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed