SCHEMBL9724957

SCHEMBL9724957

O=[C][C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ MMP12 P39900 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ CTSL P07711 3/20 0.39
▸ CTSB P07858 2/20 0.39
▸ GPR132 Q9UNW8 4/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ CMKLR2 P46091 1/20 0.39
▸ CMKLR1 Q99788 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ PSMB11 A5LHX3 1/20 0.38
▸ PSMA7 O14818 1/20 0.38
▸ PSMB1 P20618 1/20 0.38
▸ PSMA1 P25786 1/20 0.38
▸ PSMA2 P25787 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
SCHEMBL9724951 0.88 KMT2A (0.46) CYP1A2CTSLCTSBGPR132HDAC8
SCHEMBL7295646 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19HDAC8
SCHEMBL7295654 0.84 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C9CYP2C19HDAC8
SCHEMBL7286963 0.82 PSMB5 (0.51) MMP12CTSLCTSBMMP9MMP8
SCHEMBL7286971 0.82 PSMB5 (0.51) MMP12CTSLCTSBMMP9MMP8
SCHEMBL7285504 0.82 CTSS (0.50) CTSLCTSBHDAC8PSMB11PSMA7
SCHEMBL7285491 0.82 CTSS (0.50) CTSLCTSBHDAC8PSMB11PSMA7
SCHEMBL7442083 0.80 REN (0.40) POLBCTSLCTSBMMP9MMP8
SCHEMBL7286309 0.79 TACR1 (0.54) CTSLCTSB
SCHEMBL7286303 0.79 TACR1 (0.54) CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5134124-A USE OF A STATIN DERIVATIVE IN THE TREATMENT OF EYE COMPLAINTS SANOFI (FR) 1992-07-28 — — US disclosed
Send feedback