SCHEMBL31039633

SCHEMBL31039633

c1ccc(C[Ti](Cc2ccccc2)(Cc2ccccc2)C2CCCC3=C2Cc2ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.32
APAF1 O14727 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
GRIN2B Q13224 2/20 0.31
GAA P10253 1/20 0.30
CASP1 P29466 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
G6PC1 P35575 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD1 P21728 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
SCHEMBL6249924 1.00 SIGMAR1 (0.32) SIGMAR1APAF1ALDH1A1MAPTKMT2A
SCHEMBL31039630 0.80 CHRM1 (0.37) SIGMAR1ALDH1A1CHRM2HTR1AADRA2A
SCHEMBL6251442 0.80 CHRM1 (0.37) SIGMAR1ALDH1A1CHRM2HTR1AADRA2A
SCHEMBL28430120 0.75 CHRM2 (0.34) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL8895975 0.73 CHRM2 (0.39) SIGMAR1CHRM2HTR1AADRA2ACHRM1
Hydrochloric Acid SCHEMBL8909535 0.72 CHRM2 (0.32) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2232626 0.71 CHRM1 (0.37) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7641221 0.71 CHRM2 (0.37) ALDH1A1MAPTHPGDRAB9ACHRM2
SCHEMBL6253720 0.71 ADRA2C (0.30)
SCHEMBL31039634 0.71 ADRA2C (0.30)

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
CN-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN disclosed