SCHEMBL7758992

SCHEMBL7758992

CCOC(=O)C1(C(=O)NCC(c2ccccc2)c2ccccc2)CO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
KCNA3 P22001 1/20 0.42
CASR P41180 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
OPRM1 P35372 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL7763532 0.82 PPID (0.53) MMP8CYP3A4CYP2C19SMN1; SMN2TSHR
SCHEMBL7762748 0.80 HDAC3 (0.49) OPRM1SMN1; SMN2OPRD1GAA
SCHEMBL7764010 0.78 MMP8 (0.50) MMP8KCNA3CYP2C19SMN1; SMN2GAA
SCHEMBL5696631 0.74 NPC1 (0.55) MMP8CASRSMN1; SMN2MTNR1AMTNR1B
SCHEMBL7406067 0.74 ITGB1 (0.61) MMP8ITGB1ITGA4ITGB7
SCHEMBL7761903 0.72 ITGB1 (0.52) MMP8ITGB1ITGA4ITGB7
SCHEMBL7765671 0.72 MMP1 (0.56) MMP8ITGB1ITGA4ITGB7
SCHEMBL7762785 0.72 HRH3 (0.45) MTNR1AMTNR1B
SCHEMBL7761865 0.72 L3MBTL1 (0.53) MMP8ITGB1ITGA4ITGB7
SCHEMBL7202935 0.72 MMP1 (0.53) MMP8ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0808839-B1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2001-05-23 EP disclosed
US-5883121-A INHIBITING ACTIVITY AGAINST CATHEPSIN, AND IS USEFUL FOR PREVENTION AND TREATMENT OF OSTEOPATHY SUCH AS OSTEOPOROSIS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
EP-0808839-A1 EPOXYSUCCINAMIDE DERIVATIVES OR SALTS THEREOF, AND DRUGS CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-11-26 EP disclosed