SCHEMBL7644129

SCHEMBL7644129

C=C(C)c1ccc(OC(C)OCC)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 9/20 0.38
TAS1R1 Q7RTX1 9/20 0.38
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
P2RX3 P56373 2/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
LMNA P02545 1/20 0.31

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
SCHEMBL24106152 0.85 ALDH1A1 (0.50) TAS1R3TAS1R1TSHRALDH1A1HTR2A
SCHEMBL7644124 0.84 TAS1R3 (0.37) TAS1R3TAS1R1TSHRHTR2AHTR2C
SCHEMBL10040369 0.77 AKR1C3 (0.38) ALDH1A1LMNA
SCHEMBL685750 0.76 KMT2A (0.37) ALDH1A1LMNA
SCHEMBL24106174 0.76 FFAR1 (0.36) TAS1R3TAS1R1TSHRHTR2AHTR2C
SCHEMBL22680812 0.75 ACHE (0.40) TSHRALDH1A1HTR2AHTR2CHTR2B
SCHEMBL7636974 0.75 KMT2A (0.38) TAS1R3TAS1R1TSHRALDH1A1LMNA
SCHEMBL7639004 0.75 TRPA1 (0.35) TSHRHTR2AHTR2CHTR2BP2RX3
SCHEMBL24106205 0.74 FFAR1 (0.35) TAS1R3TAS1R1TSHRALDH1A1HTR2A
SCHEMBL26854105 0.74 FFAR1 (0.37) TSHRALDH1A1HTR2AHTR2CHTR2B

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
US-6465150-B1 COMPRISING AN AROMATIC SULFONIC ACID ONIUM SALT COMPOUND ACID GENERATOR, FOR EXAMPLE, 2,4-DIFLUOROBENZENESULFONIC ACID ANION AND AN ONIUM CATION OF SULFUR OR IODONIUM, AND A COPOLYMER REPRESENTED BY 4-HYDROXYSTYRENE/4-T-BUTOXYSTYRENE COPOLYMER JSR CORPORATION (JP) 2002-10-15 US claimed
US-6465150-B1 COMPRISING AN AROMATIC SULFONIC ACID ONIUM SALT COMPOUND ACID GENERATOR, FOR EXAMPLE, 2,4-DIFLUOROBENZENESULFONIC ACID ANION AND AN ONIUM CATION OF SULFUR OR IODONIUM, AND A COPOLYMER REPRESENTED BY 4-HYDROXYSTYRENE/4-T-BUTOXYSTYRENE COPOLYMER JSR CORPORATION (JP) 2002-10-15 US disclosed