SCHEMBL4753672

SCHEMBL4753672

Cc1ccsc1-c1sc(B2OC(C)(C)C(C)(C)O2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.38
LIPG Q9Y5X9 10/20 0.38
CYP2A6 P11509 7/20 0.37
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
PGR P06401 2/20 0.33
NISCH Q9Y2I1 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
SCHEMBL15441588 0.76 LPL (0.36) LPLLIPGCYP2A6PGR
SCHEMBL13320061 0.74 LPL (0.31) LPLLIPG
SCHEMBL3842639 0.72 GPR35 (0.40) LPLLIPG
SCHEMBL31547660 0.72 LPL (0.33) LPLLIPG
SCHEMBL793512 0.71 LPL (0.41) LPLLIPG
SCHEMBL8463711 0.70 CYP2A6 (0.47) CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL28519289 0.69 DAO (0.36) LPLLIPG
SCHEMBL15978016 0.69 LPL (0.32) LPLLIPG
SCHEMBL16533021 0.69 CYP2A6 (0.46) CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9
SCHEMBL722595 0.69 CYP2A6 (0.56) CYP2A6CYP2E1CYP3A4CYP2D6CYP2C9

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-2008146971-A1 NOVEL JULOLIDINE-BASED DYE AND PREPARATION THEREOF DONGJIN SEMICHEM CO., LTD (KR) 2008-12-04 WO disclosed