SCHEMBL7658771

SCHEMBL7658771

Cc1ccc(CCCOC(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.69
CTDSP1 Q9GZU7 1/20 0.54
KDM4E B2RXH2 1/20 0.52
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
NR3C2 P08235 1/20 0.43
KCNH2 Q12809 1/20 0.43
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FKBP1A P62942 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16244405 0.89 LMNA (0.53) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL27603021 0.84 LMNA (0.71) LMNAKDM4ETAAR1TDP1L3MBTL1
SCHEMBL16672630 0.84 CTDSP1 (0.55) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL16245538 0.84 LMNA (0.71) LMNACYP1A2KCNH2NPC1RECQL
Phenprobamate SCHEMBL134496 0.81 LMNA (1.00) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL21317450 0.81 CTDSP1 (0.47) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL16672879 0.81 CTDSP1 (0.59) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL3692999 0.80 LMNA (0.66) LMNATAAR1TDP1NR3C2NPC1
Phenprobamate SCHEMBL27286516 0.80 LMNA (0.96) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL21664727 0.79 KCNH2 (0.48) LMNACTDSP1KDM4EAPOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164477-A Pyrazolopyridine inhibitors of C-JUN-N-terminal kinase and uses thereof 达纳-法伯癌症研究所股份有限公司 2021-07-23 CN disclosed
US-6462076-B2 CYSTEINE PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CYSTEINE PROTEASES, SUCH AS OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, TUMOR METASTASIS, ANGINA PECTORIS, PLAQUE RUPTURE AND STROKE ETC. HOFFMANN-LA ROCHE INC. 2002-10-08 US disclosed