SCHEMBL7375902

SCHEMBL7375902

CC(C)CC(NCc1ccncc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.53
FNTB P49356 2/20 0.53
PGGT1B P53609 2/20 0.53
CTSK P43235 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
CYP19A1 P11511 1/20 0.48
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
PSMB5 P28074 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
FOLH1 Q04609 1/20 0.43
GAA P10253 1/20 0.43
MME P08473 1/20 0.43
ANPEP P15144 1/20 0.43
MMP13 P45452 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
SCHEMBL29788436 1.00 FNTA (0.53) FNTAFNTBPGGT1BCTSKALDH1A1
Hydrochloric Acid SCHEMBL28508695 0.98 FNTA (0.52) FNTAFNTBPGGT1BCTSKALDH1A1
SCHEMBL29788327 0.86 CYP19A1 (0.47) FNTAFNTBPGGT1BCTSKALDH1A1
SCHEMBL3451636 0.85 PSMB5 (0.57) CTSKALDH1A1LMNAMAPTPSMB5
SCHEMBL3451593 0.85 PSMB5 (0.57) CTSKALDH1A1LMNAMAPTPSMB5
SCHEMBL17833228 0.85 PSMB5 (0.57) CTSKALDH1A1LMNAMAPTPSMB5
SCHEMBL29788318 0.85 CYP19A1 (0.49) FNTAFNTBPGGT1BCTSKALDH1A1
Hydrochloric Acid SCHEMBL9697985 0.84 PSMB5 (0.56) CTSKALDH1A1LMNAMAPTPSMB5
Hydrochloric Acid SCHEMBL9696963 0.84 PSMB5 (0.56) CTSKALDH1A1LMNAMAPTPSMB5
SCHEMBL8843081 0.82 PDCD1 (0.52) ALDH1A1LMNACYP3A4MMP9MMP8

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
CN-103331151-A Non-interpenetrating chiral MOF stationary phase, its preparation method and application in enantiomer separation in HPLC UNIV SHANDONG NORMAL 2013-10-02 CN claimed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US claimed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO claimed
CN-103331151-A Non-interpenetrating chiral MOF stationary phase, its preparation method and application in enantiomer separation in HPLC UNIV SHANDONG NORMAL 2013-10-02 CN disclosed
US-6117841-A USED TO TREAT STROKE, CEREBRAL ISCHEMIA, PAIN, HEAD TRAUMA OR EPILEPSY WARNER-LAMBERT COMPANY (US) 2000-09-12 US disclosed
WO-1998054123-A1 SUBSTITUTED PEPTIDYLAMINE CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1998-12-03 WO disclosed