SCHEMBL30987239

SCHEMBL30987239

BrCc1ccc(-c2cccc(CBr)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
TAAR1 Q96RJ0 5/20 0.44
AGXT P21549 3/20 0.44
MMP3 P08254 1/20 0.43
PRKCI P41743 1/20 0.42
BCL2 P10415 1/20 0.42
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
GGPS1 O95749 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1311054 1.00 TRPA1 (0.50) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL9707122 0.96 TSHR (0.58) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL1259618 0.91 TRPA1 (0.52) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL30987236 0.91 TRPA1 (0.52) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL120295 0.88 ALDH1A1 (0.59) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL15125657 0.87 ALDH1A1 (0.50) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL3357853 0.86 TRPA1 (0.56) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL20677874 0.85 AGXT (0.61) CYP4F2CYP4A11TAAR1AGXTCYP3A4
SCHEMBL16675050 0.84 TRPA1 (0.54) TRPA1ALDH1A1TSHRCYP4F2CYP4A11
SCHEMBL16675041 0.84 TRPA1 (0.54) TRPA1ALDH1A1TSHRCYP4F2CYP4A11

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
CN-119234010-A Multifunctional vinylbenzyl compound, resin composition, prepreg, resin film, metal-clad laminate, printed wiring board, and semiconductor package 株式会社力森诺科 2024-12-31 CN disclosed
CN-112689800-B Photosensitive resin composition for forming permanent film, cured film, electronic device, and method for producing same 住友电木株式会社 2024-07-30 CN disclosed