SCHEMBL106803

SCHEMBL106803

C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3C(C)(C)CCC[C@]23C)C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.71
▸ RXRB P28702 1/20 0.71
▸ RXRG P48443 1/20 0.71
▸ CYP19A1 P11511 2/20 0.53
▸ CHRNB2 P17787 3/20 0.43
▸ CHRNB4 P30926 3/20 0.43
▸ CHRNA3 P32297 3/20 0.43
▸ CHRNA4 P43681 3/20 0.43
▸ CHRNA7 P36544 2/20 0.43
▸ TRPA1 O75762 1/20 0.42
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DUSP3 P51452 2/20 0.38
▸ CDC25A P30304 1/20 0.38
▸ PTPN1 P18031 3/20 0.37
▸ BCHE P06276 1/20 0.37
▸ IDO1 P14902 1/20 0.35
▸ NR1H4 Q96RI1 4/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ PTPN2 P17706 1/20 0.32

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
SCHEMBL17375882 1.00 RXRA (0.71) RXRARXRBRXRGCYP19A1CHRNB2
SCHEMBL4347562 1.00 RXRA (0.71) RXRARXRBRXRGCYP19A1CHRNB2
SCHEMBL30203562 0.85 RXRA (0.69) RXRARXRBRXRGCYP19A1CHRNB2
SCHEMBL29564130 0.84 RXRA (0.71) RXRARXRBRXRGCYP19A1CYP2C9
SCHEMBL21977552 0.84 RXRA (0.71) RXRARXRBRXRGCYP19A1CYP2C9
SCHEMBL28276365 0.84 RXRA (0.71) RXRARXRBRXRGCYP19A1CYP2C9
Isopimaric Acid SCHEMBL15339339 0.83 RXRA (1.00) RXRARXRBRXRGCYP19A1CYP2C9
Isopimaric Acid SCHEMBL4549113 0.83 RXRA (1.00) RXRARXRBRXRGCYP19A1CYP2C9
Isopimaric Acid SCHEMBL15744757 0.83 RXRA (1.00) RXRARXRBRXRGCYP19A1CYP2C9
Isopimaric Acid SCHEMBL12732275 0.83 RXRA (1.00) RXRARXRBRXRGCYP19A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120052535-A1 PRODUCTION OF TERPENES AND TERPENOIDS IN GLANDULAR TRICHOME-BEARING PLANTS WASHINGTON STATE UNIVERSITY 2012-03-01 — — US claimed
CN-117586970-A Cytochrome P450 oxidase variant and application thereof 中国科学院分子植物科学卓越创新中心 2024-02-23 — — CN disclosed
US-20150004672-A1 Adapting Microorganisms for Agricultural Products DE CRECY JR EUDES (US) 2015-01-01 — — US disclosed
CN-102413681-A Production of terpenese and terpenoids in glandular trichome-bearing plants UNIV WASHINGTON 2012-04-11 — — CN disclosed
EP-2424982-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS De Crecy, Eudes (US) 2012-03-07 — — EP disclosed
US-20120052535-A1 PRODUCTION OF TERPENES AND TERPENOIDS IN GLANDULAR TRICHOME-BEARING PLANTS WASHINGTON STATE UNIVERSITY 2012-03-01 — — US disclosed
CN-101896607-A Produce molecule by photosynthetic organism SAPPHIRE ENERGY 2010-11-24 — — CN disclosed
US-7833748-B1 reacting OsKSL11 with a syn-copalyl diphosphate to produce a stemodene; isolation, purification, sequencing, and functional characterization of the class I diterpene synthase sequence OsKSL11 IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2010-11-16 — — US disclosed
US-20100279354-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS EVOLUGATE, LLC (US) 2010-11-04 — — US disclosed
WO-2010127182-A1 ADAPTING MICROORGANISMS FOR AGRICULTURAL PRODUCTS EVOLUGATE, LLC (US) 2010-11-04 — — WO disclosed
WO-2010111571-A1 PRODUCTION OF TERPENESE AND TERPENOIDS IN GLANDULAR TRICHOME-BEARING PLANTS WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-09-30 — — WO disclosed
US-7525016-B1 Identification of syn-copalyl diphosphate synthase IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-04-28 — — US disclosed
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