SCHEMBL7638007

SCHEMBL7638007

C=Cc1ccc(OC(C)OC)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
TUBB1 Q9H4B7 6/20 0.35
TSHR P16473 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BRD4 O60885 1/20 0.32
P2RX3 P56373 2/20 0.32
PKM P14618 1/20 0.32
PDE4B Q07343 1/20 0.31
MAPK1 P28482 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL16960262 0.86 TRPA1 (0.41) TRPA1TDP1TP53TUBB1TSHR
SCHEMBL7639004 0.84 TRPA1 (0.35) TRPA1TDP1TP53TSHRHTR2A
SCHEMBL16953357 0.81 TRPA1 (0.40) TRPA1TDP1TP53TUBB1ALDH1A1
SCHEMBL165188 0.80 TRPA1 (0.58) TRPA1TDP1TP53TUBB1TSHR
SCHEMBL30119825 0.80 TRPA1 (0.58) TRPA1TDP1TP53TUBB1TSHR
SCHEMBL8189191 0.78 TRPA1 (0.67) TRPA1TDP1ALDH1A1MAPTKDM4E
SCHEMBL10413921 0.77 TRPA1 (0.46) TRPA1TDP1TP53TUBB1TSHR
SCHEMBL24192641 0.73 SLC6A4 (0.39) TSHRHTR2AHTR2CHTR2BALDH1A1
SCHEMBL7643558 0.72 TRPA1 (0.42) TRPA1TDP1TP53TUBB1TSHR
SCHEMBL16954753 0.72 TDP1 (0.42) TRPA1TDP1TP53HTR2BALDH1A1

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