SCHEMBL23604744

SCHEMBL23604744

CCCOc1ccc(C(c2ccccc2C(=O)OCC(O)CC)c2ccc(OCCC)c3ccccc23)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.51
▸ ADRB1 P08588 9/20 0.51
▸ ADRB3 P13945 9/20 0.51
▸ CNR1 P21554 4/20 0.46
▸ CNR2 P34972 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL23604743 0.92 ADRB2 (0.41) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL23604742 0.87 NPC1 (0.40) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL23604741 0.87 ADRB2 (0.52) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL23604409 0.79 ADRB2 (0.48) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL15237076 0.73 TSHR (0.65) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL12999569 0.72 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL23604408 0.71 ADRB2 (0.43) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL23604368 0.70 TP53 (0.44) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL14441351 0.69 ADRB2 (0.67) ADRB2ADRB1ADRB3ALDH1A1CA2
SCHEMBL24292233 0.68 ADRB2 (0.66) ADRB2ADRB1ADRB3ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198472-A1 MATERIAL FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-07-01 — — US disclosed
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