SCHEMBL7644124

SCHEMBL7644124

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.37
TAS1R1 Q7RTX1 10/20 0.37
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ALOX15 P16050 1/20 0.36
P2RX3 P56373 2/20 0.34
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 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
SCHEMBL7644129 0.84 TAS1R3 (0.38) TAS1R3TAS1R1TSHRHTR2AHTR2C
SCHEMBL23732010 0.80 ALOX15 (0.53) TAS1R3TAS1R1TSHRALOX15CYP2C9
SCHEMBL10414443 0.78 ALOX15 (0.39) TAS1R3TAS1R1TSHRALOX15POLB
SCHEMBL8518848 0.75 PDE4A (0.36) TAS1R3TAS1R1ALOX15PDE4APDE4B
SCHEMBL7642683 0.73 TAS1R3 (0.38) TAS1R3TAS1R1ALOX15PDE4APDE4B
SCHEMBL6689348 0.73 KMT2A (0.41) TAS1R3TAS1R1POLB
SCHEMBL7639879 0.72 ALOX15 (0.35) TAS1R3TAS1R1TSHRALOX15CYP2C9
SCHEMBL7641670 0.72 TSHR (0.51) TSHRSMN1; SMN2
SCHEMBL24192641 0.72 SLC6A4 (0.39) TSHRHTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL16960366 0.72 ALDH1A1 (0.42) TAS1R3TAS1R1TSHRHTR2AHTR2C

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-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