SCHEMBL27144103

SCHEMBL27144103

CC(C)Cc1n[nH]c(CC(C)C)c1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ GABRA1 P14867 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27153951 0.88 CCNC (0.35) CCNCCDK8KDM4EUSP2HPGD
SCHEMBL27154336 0.85 CCNC (0.33) CCNCCDK8TSHRCYP1A2TDP1
SCHEMBL27152985 0.85 KDM4E (0.33) CCNCCDK8KDM4EUSP2HPGD
SCHEMBL27143241 0.82 HCAR2 (0.43) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27149607 0.82 HCAR2 (0.40) CCNCCDK8TSHRGAA
SCHEMBL27143023 0.79 KDM4E (0.40) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27140273 0.78 CCNC (0.36) CCNCCDK8TSHRGABRA1GABRB2
SCHEMBL27139358 0.78 KDM4E (0.35) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27150686 0.75 KDM4E (0.33) KDM4EUSP2HPGDHSD17B10TSHR
SCHEMBL27154597 0.75 CCNC (0.34) CCNCCDK8TSHRGABRA1GABRB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4326783-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2024-02-28 — — EP disclosed
WO-2022223336-A1 POLYMERIZATION INHIBITORS BASF SE (DE) 2022-10-27 — — WO disclosed
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