SCHEMBL26489495

SCHEMBL26489495

c1ccc2cc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4cccc5c4oc4cc6ccccc6cc45)cc3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ LPL P06858 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ALOX5 P09917 2/20 0.33
▸ PGR P06401 2/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ UTRN P46939 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ NPC1 O15118 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
SCHEMBL25902768 0.97 HSD17B1 (0.36) ESR1ESR2CYP1A1CYP1B1HSD17B1
SCHEMBL26489493 0.92 PTPN1 (0.33) ESR1ESR2CYP1A1CYP1B1ALOX5
SCHEMBL25607118 0.92 CYP1A1 (0.43) CYP1A1CYP1B1CYP1A2PRKDCCYP2C9
SCHEMBL25642331 0.91 CYP1A1 (0.33) ESR1ESR2CYP1A1CYP1B1PGR
SCHEMBL24686640 0.91 ALOX5 (0.40) ESR1ESR2CYP1A1CYP1B1HSD17B1
SCHEMBL14295592 0.91 ALOX5 (0.40) ESR1ESR2CYP1A1CYP1B1HSD17B1
SCHEMBL26753122 0.90 PGR (0.39) ESR1ESR2CYP1A1CYP1B1HSD17B1
SCHEMBL23370909 0.89 ALOX5 (0.36) ALOX5PGRAHRNPC1RAB9A
SCHEMBL24686788 0.89 HCRTR1 (0.39) ESR1ESR2CYP1A1CYP1B1HSD17B1
SCHEMBL10307230 0.89 ALOX5 (0.37) ESR1ESR2CYP1A1CYP1B1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329025-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 — — US disclosed
US-20230329025-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2023-10-12 — — US disclosed
WO-2023190597-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2023-10-05 — — WO disclosed
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