SCHEMBL6946992

SCHEMBL6946992

CC(C)C(C)(C(=O)OC(C)(C)C)S(=O)(=O)N(C)CC(C)(C)Oc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.40
▸ CYP3A4 P08684 5/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ PMP22 Q01453 3/20 0.40
▸ ABCB11 O95342 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ CNR1 P21554 7/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ PPARG P37231 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ HPGD P15428 1/20 0.39

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
SCHEMBL6946985 0.77 PPARA (0.38) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL6946989 0.76 PPARA (0.39) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL6943326 0.73 PPARA (0.41) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL6950101 0.70 MMP2 (0.41) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL23903398 0.68 PPARA (0.66) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL21992542 0.63 PPARA (0.55) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL27497488 0.63 PPARA (0.49) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL21992534 0.63 PPARA (0.61) PPARACYP3A4CYP1A2PMP22ABCB11
Sulfamate SCHEMBL9451429 0.62 PPARA (0.47) PPARACYP3A4CYP1A2PMP22ABCB11
SCHEMBL23903396 0.62 PPARA (0.69) PPARACYP3A4CYP1A2PMP22ABCB11

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-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP claimed
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