SCHEMBL28943223

SCHEMBL28943223

C=C(c1ccc(C(=O)O)cc1)c1c(C)c(C)c2c(c1C)CCCC2(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 17/20 0.54
▸ RXRB P28702 5/20 0.54
▸ RXRG P48443 5/20 0.54
▸ RARB P10826 10/20 0.48
▸ RARG P13631 9/20 0.48
▸ RARA P10276 7/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP26A1 O43174 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ PGR P06401 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ ADRA2A P08913 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ DRD1 P21728 1/20 0.48
▸ TBXA2R P21731 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ OPRM1 P35372 1/20 0.48

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
SCHEMBL10596854 0.81 CYP1A2 (0.37) RXRARXRBRXRGRARBRARG
Diethylamine SCHEMBL29140690 0.80 CA12 (0.37) RXRARXRBRXRGMEN1ESR1
Diethylamine SCHEMBL29140685 0.80 RXRA (0.40) RXRARXRBRXRGRARBRARG
SCHEMBL6244149 0.70 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL6904473 0.70 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL7225318 0.69 RARB (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL24055125 0.69 RXRA (0.63) RXRARXRBRXRGRARBRARG
SCHEMBL16914603 0.67 RXRA (0.53) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL9025 0.65 RXRA (1.00) RXRARXRBRXRGRARBRARG
Bexarotene SCHEMBL5322954 0.65 RXRA (1.00) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986173-A Prodrugs of retinoic acid and retinoid compounds 于崇曦 2024-05-07 — — CN claimed
CN-113636966-B Prodrugs of retinoic acid and retinoid compounds 于崇曦 2024-01-12 — — CN claimed
CN-117986173-A Prodrugs of retinoic acid and retinoid compounds 于崇曦 2024-05-07 — — CN disclosed
CN-113636966-B Prodrugs of retinoic acid and retinoid compounds 于崇曦 2024-01-12 — — CN disclosed
CN-111714479-B Pharmaceutical composition containing Bexarotene 中国医学科学院药物研究所 2023-05-05 — — CN disclosed
CN-111956638-B Application of Bexarotene or/and pharmaceutically acceptable salt thereof in preparation of anti-pulmonary hypertension drugs 上海宛文创业孵化器管理合伙企业(有限合伙) 2023-01-24 — — CN disclosed
CN-111956638-B Application of Bexarotene or/and pharmaceutically acceptable salt thereof in preparation of anti-pulmonary hypertension drugs 上海宛文创业孵化器管理合伙企业(有限合伙) 2023-01-24 — — CN disclosed
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