SCHEMBL26061384

SCHEMBL26061384

CC(C)CC(C)c1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.52
ADRA1A P35348 2/20 0.52
MIF P14174 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2B P41595 1/20 0.52
HIF1A Q16665 4/20 0.49
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRB3 P13945 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD1 P21728 1/20 0.49
HTR7 P34969 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
RAB9A P51151 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL13941277 0.86 ADRB1 (0.50) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL26043798 0.82 HIF1A (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
Phenol SCHEMBL18240154 0.82 TRPA1 (0.58) LMNATRPA1CA12ALDH1A1CA2
SCHEMBL17399704 0.82 HDAC4 (0.62) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL9169343 0.82 ADRB1 (0.53) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL97542 0.82 HDAC4 (0.62) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL20738464 0.82 ADRB1 (0.53) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL18774941 0.81 ADRB1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL12967704 0.81 ADRB1 (0.53) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL632781 0.80 TAAR1 (0.57) ADRB1ADRA1AMIFHTR2AHTR2B

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-113164941-B Catalyst system comprising a metathesis catalyst and at least one phenolic compound and method for metathesis of nitrile rubber (NBR) using the catalyst system 阿朗新科德国有限责任公司 2023-12-12 CN disclosed
US-20230266675-A1 INSPECTION METHOD, METHOD FOR PRODUCING COMPOSITION, AND METHOD FOR VERIFYING COMPOSITION FUJIFILM CORPORATION (JP) 2023-08-24 US disclosed