SCHEMBL29525958

SCHEMBL29525958

CC(C)c1cc2c(cc1O)CC1=CCCC(C)(C)[C@@H]1CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 1/20 0.39
▸ FDPS P14324 12/20 0.36
▸ BCL9 O00512 3/20 0.35
▸ CTNNB1 P35222 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PNLIP P16233 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ GSTO1 P78417 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL29525557 0.82 FDPS (0.42) FDPSBCL9CTNNB1ALDH1A1CYP3A4
Ferruginol SCHEMBL155580 0.62 KARS1 (0.73) KARS1FDPSBCL9CTNNB1ALDH1A1
Ferruginol SCHEMBL5315022 0.62 KARS1 (0.73) KARS1FDPSBCL9CTNNB1ALDH1A1
Ferruginol SCHEMBL13423521 0.62 KARS1 (0.73) KARS1FDPSBCL9CTNNB1ALDH1A1
SCHEMBL12564878 0.62 KARS1 (0.43) KARS1FDPSBCL9CTNNB1ALDH1A1
SCHEMBL12564885 0.62 KARS1 (0.43) KARS1FDPSBCL9CTNNB1ALDH1A1
Sempervirol SCHEMBL10524413 0.62 KARS1 (0.66) KARS1FDPSBCL9CTNNB1ALDH1A1
Sempervirol SCHEMBL10524412 0.62 KARS1 (0.66) KARS1FDPSBCL9CTNNB1ALDH1A1
Sempervirol SCHEMBL29495146 0.62 KARS1 (0.66) KARS1FDPSBCL9CTNNB1ALDH1A1
SCHEMBL29414883 0.62 KARS1 (0.56) KARS1FDPSBCL9CTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113759026-B Common clubmoss herb and preparation characteristic map and construction method thereof 北京康仁堂药业有限公司 2023-04-07 — — CN disclosed
CN-115572718-A Novel CRISPR enzymes and systems 布罗德研究所有限公司 2023-01-06 — — CN disclosed
CN-114591277-B 5/6/7/6 tetracyclic compound fused with benzene ring and synthetic method thereof 南京林业大学 2022-11-25 — — CN disclosed
WO-2022142159-A1 PREPARATION METHOD FOR ICETEXANE TYPE ABIETANE DITERPENE 中南大学 2022-07-07 — — WO disclosed
CN-114591277-A 5/6/7/6 tetracyclic compound fused with benzene ring and synthesis method thereof 南京林业大学 2022-06-07 — — CN disclosed
CN-112707795-B Preparation method of Icetexane type abietane diterpene 中南大学 2022-04-01 — — CN disclosed
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