SCHEMBL9821483

SCHEMBL9821483

C=CC(CCCCC)n1ccnc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 9/20 0.42
▸ TBXAS1 P24557 1/20 0.41
▸ CYP19A1 P11511 3/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ AKT2 P31751 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ AKT3 Q9Y243 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TBXA2R P21731 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
SCHEMBL27908258 0.98 TBXAS1 (0.44) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
SCHEMBL15657207 0.98 TBXAS1 (0.44) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
SCHEMBL27918142 0.98 TBXAS1 (0.44) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
SCHEMBL27915211 0.98 TBXAS1 (0.44) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
Hydrochloric Acid SCHEMBL28958785 0.98 CYP17A1 (0.41) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
Bromide SCHEMBL27677541 0.98 CYP17A1 (0.41) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
SCHEMBL27685945 0.98 TBXAS1 (0.44) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
Bromide SCHEMBL28440401 0.97 TBXAS1 (0.42) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
Bromide SCHEMBL29161797 0.97 TBXAS1 (0.42) CYP17A1TBXAS1CYP19A1PIK3R1AKT1
Bromide SCHEMBL28449861 0.97 TBXAS1 (0.42) CYP17A1TBXAS1CYP19A1PIK3R1AKT1

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
CN-118702875-A Gelatin-based hydrogel and preparation method and application thereof 陕西科技大学 2024-09-27 — — CN claimed
CN-117603049-A Method and catalyst for preparing isononanoate 兰州交通大学 2024-02-27 — — CN claimed
EP-0430194-A2 Aryl-alkyl-azoles substituted with many times unsaturated groups, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 — — EP claimed
CN-120059079-A Lubricating base oil, preparation method thereof, lubricating oil composition and application 广东鸿福新材料科技股份有限公司 2025-05-30 — — CN disclosed
CN-118702875-A Gelatin-based hydrogel and preparation method and application thereof 陕西科技大学 2024-09-27 — — CN disclosed
CN-117603049-A Method and catalyst for preparing isononanoate 兰州交通大学 2024-02-27 — — CN disclosed
CN-102942527-B Vinyl alkyl imidazole tetrathiocyanate cobalt (II) magnetic ionic liquids and synthetic methods thereof UNIV NORTHWESTERN POLYTECHNIC 2014-07-02 — — CN disclosed
CN-103396441-A High stability diionic liquid salts ADVANCED SEPARATION TECH 2013-11-20 — — CN disclosed
CN-101061099-B High Stability Diionic Liquid Salt SIGMA ALDRICH CO 2013-10-30 — — CN disclosed
CN-102942527-A Vinyl alkyl imidazole tetrathiocyanate cobalt (II) magnetic ionic liquids and synthetic methods thereof UNIV NORTHWESTERN POLYTECHNIC 2013-02-27 — — CN disclosed
CN-101061099-A High Stability Diionic Liquid Salt SIGMA ALDRICH CO (US) 2007-10-24 — — CN disclosed
EP-0430194-A2 Aryl-alkyl-azoles substituted with many times unsaturated groups, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 — — EP disclosed
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