SCHEMBL28838086

SCHEMBL28838086

C1=CC(C(c2ccccc2)c2ccccc2)C=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ EPHX1 P07099 1/20 0.34

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
SCHEMBL29244200 0.89 CYP19A1 (0.41) CYP19A1DPP4F2TSHRTAAR1
SCHEMBL31382786 0.77 CYP19A1 (0.34) CYP19A1DPP4F2TSHRKDM4E
SCHEMBL31347483 0.77 CYP19A1 (0.34) CYP19A1DPP4F2TSHRTAAR1
SCHEMBL20913263 0.75 CHRNA7 (0.39) CYP19A1TSHRLMNAMEN1KMT2A
SCHEMBL29244262 0.72 KCNN4 (0.33) CYP19A1EPHX1
SCHEMBL23522723 0.68 CYP2C19 (0.46) TSHRTAAR1KDM4EHSD17B10HTR2A
Isopropylbenzene SCHEMBL1312914 0.67 MIF (0.36) TAAR1KDM4ELMNAMEN1KMT2A
SCHEMBL1502251 0.65 SLC6A4 (0.50) CHRNB4CHRNA3CYP2D6
SCHEMBL677532 0.65 IDO1 (0.52) CYP19A1CHRNB4CHRNA3CYP2D6
SCHEMBL8674414 0.65 IDO1 (0.52) CYP19A1CHRNB4CHRNA3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010838-B Olefin polymerization method and polyolefin obtained by same 中国石油化工股份有限公司 2024-06-04 — — CN disclosed
CN-115010838-A Olefin polymerization method and polyolefin obtained by same 中国石油化工股份有限公司 2022-09-06 — — CN disclosed
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