SCHEMBL29959656

SCHEMBL29959656

CC(C)c1ccccc1Oc1ccccc1C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.58
P2RX2 Q9UBL9 1/20 0.58
SLC6A4 P31645 6/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 2/20 0.49
GABRA1 P14867 3/20 0.48
GABRB2 P47870 2/20 0.48
AR P10275 1/20 0.45
HTR2A P28223 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
FAAH O00519 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44

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
SCHEMBL4575432 1.00 P2RX3 (0.58) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL25141195 0.89 P2RX3 (0.50) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL123775 0.88 SLC6A4 (0.58) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL984086 0.87 GABRA1 (0.59) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL11435322 0.87 P2RX3 (0.49) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL6682183 0.86 SLC6A4 (0.51) P2RX3P2RX2SLC6A4SLC6A2GABRA1
SCHEMBL11778650 0.84 P2RX3 (0.54) P2RX3P2RX2SLC6A4SLC6A2SLC6A3
SCHEMBL31257131 0.84 CA1 (0.60) P2RX3P2RX2GABRA1GABRB2CYP1A2
SCHEMBL141647 0.84 CA1 (0.60) P2RX3P2RX2GABRA1GABRB2CYP1A2
SCHEMBL9130041 0.84 GABRA1 (0.48) P2RX3P2RX2SLC6A2GABRA1GABRB2

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
CN-111868214-B Diaryl ethers as fuel markers 陶氏环球技术有限责任公司 2022-11-18 CN disclosed