SCHEMBL6592200

SCHEMBL6592200

CCNC(=O)NCC(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.38
CNR2 P34972 6/20 0.38
TRPA1 O75762 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
EPHX1 P07099 2/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
PIK3CD O00329 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL31317634 0.90 CNR1 (0.40) CNR1CNR2TRPA1TRPV1ALDH1A1
SCHEMBL9870399 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL28293734 0.79 MMP1 (0.48) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL320068 0.79
SCHEMBL8368739 0.78 CNR1 (0.37) CNR1CNR2TRPA1TRPV1ALDH1A1
SCHEMBL622102 0.77 SMN1; SMN2 (0.34) CNR2ALDH1A1SMN1; SMN2MMP1MMP2
SCHEMBL6286877 0.77 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL124496 0.76 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL966577 0.76 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL6287596 0.76 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MMP1MMP2MMP3

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-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US disclosed