SCHEMBL30021275

SCHEMBL30021275

C=Cc1cc2ccccc2c2c1sc1c3ccccc3ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 7/20 0.40
▸ CYP1A1 P04798 6/20 0.40
▸ HSD17B10 Q99714 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ NQO2 P16083 2/20 0.37
▸ NQO1 P15559 1/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ HPRT1 P00492 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 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
SCHEMBL21798522 1.00 CYP1B1 (0.40) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL22963846 0.83 NQO2 (0.39) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL31629508 0.77 CYP1B1 (0.39) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL18810717 0.76 HSD17B10 (0.46) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL18902858 0.76 HPRT1 (0.46) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL17383065 0.76 CYP1B1 (0.45) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
Acrylic Acid SCHEMBL29942683 0.74 CYP1A1 (0.40) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL25368551 0.73 CYP1B1 (0.41) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL30154374 0.73 HPRT1 (0.57) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A
SCHEMBL13085236 0.73 HPRT1 (0.57) CYP1B1CYP1A1HSD17B10ALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024195791-A1 PHOTOCURABLE ADHESIVE, ADHESIVE AND ADHESIVE SHEET 日東電工株式会社 2024-09-26 — — WO disclosed
WO-2023042686-A1 ADHESIVE COMPOSITION AND ADHESIVE SHEET 日東電工株式会社 2023-03-23 — — WO disclosed
WO-2023013399-A1 ADHESIVE COMPOSITION AND ADHESIVE SHEET 日東電工株式会社 2023-02-09 — — WO disclosed
WO-2023013400-A1 ADHESIVE AND ADHESIVE SHEET 日東電工株式会社 2023-02-09 — — WO disclosed
WO-2022244450-A1 PHOTOCURABLE PRESSURE-SENSITIVE ADHESIVE AND USES THEREOF 日東電工株式会社 2022-11-24 — — WO disclosed
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