SCHEMBL24985304

SCHEMBL24985304

C=Cc1ccc(C(=O)OC(C)(C)CC(C)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ADRB2 P07550 5/20 0.39
ADRB1 P08588 5/20 0.39
ADRB3 P13945 5/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
SNCA P37840 1/20 0.34
ELANE P08246 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL24948273 0.84 TAS1R3 (0.41) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL4006994 0.83 TAS1R3 (0.47) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL24948260 0.82 TAS1R3 (0.42) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL24948262 0.81 TAS1R3 (0.43) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL10281593 0.81 CYP2D6 (0.51) ADRB2ADRB1ADRB3ALDH1A1CYP1A2
SCHEMBL24948271 0.80 CYP1A2 (0.50) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL24948275 0.80 ALDH1A1 (0.41) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL394001 0.79 CA1 (0.49) TAS1R3TAS1R1ADRB2ADRB1ADRB3
4-Vinylphenol SCHEMBL6907688 0.78 CA1 (0.45) TAS1R3TAS1R1ADRB2ADRB1ADRB3
SCHEMBL24948274 0.77 ALDH1A1 (0.39) TAS1R3TAS1R1ADRB2ADRB1ADRB3

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
WO-2023008347-A1 ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, METHOD FOR FORMING PATTERN, AND METHOD FOR PRODUCING ELECTRONIC DEVICE 富士フイルム株式会社 2023-02-02 WO disclosed