SCHEMBL21110584

SCHEMBL21110584

COc1ccc(CSc2c(C)cc(OC)cc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.48
▸ TP53 P04637 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ POLB P06746 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ DAO P14920 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2E1 P05181 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2B6 P20813 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
SCHEMBL21229116 0.88 FFAR1 (0.45) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL30786121 0.75 TP53 (0.50) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL30786123 0.75 TP53 (0.50) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL6290570 0.73 RAB9A (0.67) FFAR1TP53USP2SMN1; SMN2NPC1
SCHEMBL20644280 0.73 FFAR1 (0.57) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL30786206 0.73 MAOB (0.52) FFAR1TP53USP2DAOCYP1A2
SCHEMBL11826469 0.72 FFAR1 (0.47) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL11817237 0.72 FFAR1 (0.47) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL30786144 0.72 FFAR1 (0.47) FFAR1TP53USP2SMN1; SMN2POLB
SCHEMBL9833207 0.71 HPGD (0.53) FFAR1TP53USP2SMN1; SMN2NPC1

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
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 — — EP disclosed
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