SCHEMBL4775789

SCHEMBL4775789

CC1CCC(C(=O)N(CC2CCOCC2)c2cc(-c3ccc(-c4cc5ncccn5n4)cc3)sc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.40
CSF1R P07333 2/20 0.33
FYN P06241 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
F2 P00734 1/20 0.31
MAPK14 Q16539 1/20 0.30
SYK P43405 1/20 0.30

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
SCHEMBL4775785 1.00 CYP2E1 (0.40) CYP2E1CSF1RFYNAPOBEC3AAPOBEC3G
SCHEMBL4140094 0.95 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYK
SCHEMBL4140087 0.95 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYK
SCHEMBL14291278 0.93 CSF1R (0.35) CYP2E1CSF1RFYNF2MAPK14
SCHEMBL4838993 0.89 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYK
SCHEMBL4838987 0.89 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYK
Ammonia Solution, Strong SCHEMBL4156140 0.88 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYK
Ammonia Solution, Strong SCHEMBL4156138 0.88 CYP2E1 (0.36) CYP2E1APOBEC3AAPOBEC3GSYK
SCHEMBL4152953 0.87 KDM4E (0.37) SYK
SCHEMBL4152956 0.87 KDM4E (0.37) SYK

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
WO-2008017688-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-14 WO claimed