SCHEMBL23098206

SCHEMBL23098206

COC(=O)[C@@]12CCC3C(C(=O)C=C4C5(C)C=C(C#N)C(=O)C(O)C5CCC43C)C1CC(C)(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 4/20 0.53
▸ NFE2L2 Q16236 3/20 0.53
▸ USP7 Q93009 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ STAT3 P40763 1/20 0.53
▸ RORC P51449 2/20 0.52
▸ NOS2 P35228 8/20 0.41
▸ KEAP1 Q14145 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CCR6 P51684 1/20 0.37
▸ PTPN1 P18031 1/20 0.33

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
SCHEMBL23098174 1.00 MBOAT4 (0.53) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21573987 0.92 MBOAT4 (0.53) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21085842 0.92 MBOAT4 (0.53) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20826041 0.92 MBOAT4 (0.53) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022880 0.92 MBOAT4 (0.53) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL23098162 0.89 MBOAT4 (0.51) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL23098197 0.88 MBOAT4 (0.47) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022785 0.87 MBOAT4 (0.52) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20925958 0.87 MBOAT4 (0.52) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL26058525 0.87 MBOAT4 (0.52) MBOAT4NFE2L2USP7USP2STAT3

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-3353190-B1 C4-MODIFIED OLEANOLIC ACID DERIVATIVES FOR INHIBITION OF IL-17 AND OTHER USES REATA PHARMACEUTICALS INC (US) 2021-03-17 — — EP disclosed
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