SCHEMBL23098218

SCHEMBL23098218

CC[C@]1(C)C(=O)C(C#N)=CC2(C)C3=CC(=O)C4C(CCC5(C(=O)OC)CCC(C)(C)CC45)C3(C)CCC21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 4/20 0.59
▸ NFE2L2 Q16236 3/20 0.59
▸ USP7 Q93009 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ STAT3 P40763 1/20 0.59
▸ RORC P51449 1/20 0.58
▸ NOS2 P35228 8/20 0.48
▸ KEAP1 Q14145 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CCR6 P51684 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
SCHEMBL26058514 0.94 MBOAT4 (0.59) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022573 0.94 MBOAT4 (0.59) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022794 0.94 MBOAT4 (0.59) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022594 0.93 MBOAT4 (0.58) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022529 0.93 MBOAT4 (0.58) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL21022534 0.92 MBOAT4 (0.57) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL26058696 0.92 MBOAT4 (0.57) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL26058610 0.91 MBOAT4 (0.58) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL22875562 0.90 MBOAT4 (0.71) MBOAT4NFE2L2USP7USP2STAT3
SCHEMBL20750769 0.90 MBOAT4 (0.71) 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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