SCHEMBL7645238

SCHEMBL7645238

C=CC(I)c1cccc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TRPA1 O75762 2/20 0.42
HPGD P15428 3/20 0.38
CYP3A4 P08684 3/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL9908787 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL2542973 0.79 ALDH1A1 (0.48) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL10697584 0.73 ALDH1A1 (0.33) ALDH1A1TSHR
SCHEMBL4931538 0.72 GABRA1 (0.46) ALDH1A1HPGDCYP3A4GABRA1GABRB2
SCHEMBL99348 0.71 GABRA1 (0.73) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL921042 0.71 ALDH1A1 (0.59) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL30345339 0.71 GABRA1 (0.73) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL9193972 0.71 ALDH1A1 (0.59) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL9495194 0.70 ALDH1A1 (0.56) ALDH1A1TRPA1HPGDCYP3A4GABRA1
SCHEMBL2045707 0.70 ALDH1A1 (0.56) ALDH1A1TRPA1HPGDCYP3A4GABRA1

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
EP-1242504-A1 SYNTHESIS OF POLY(ARYLENE ETHER)-POLY(ORGANOSILOXANE) COPOLYMERS GENERAL ELECTRIC COMPANY (US) 2002-09-25 EP disclosed
WO-2001040353-A1 SYNTHESIS OF POLY(ARYLENE ETHER)-POLY(ORGANOSILOXANE) COPOLYMERS GENERAL ELECTRIC COMPANY (US) 2001-06-07 WO disclosed