SCHEMBL21990472

SCHEMBL21990472

C=Cc1ccccc1Cc1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.37
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
PTGDR Q13258 3/20 0.37
ALDH1A1 P00352 1/20 0.36
KEAP1 Q14145 1/20 0.36
PYCR1 P32322 1/20 0.36
TGM2 P21980 1/20 0.35
PTGER4 P35408 2/20 0.35
PTGFR P43088 2/20 0.35
PDPK1 O15530 1/20 0.34
PTGER1 P34995 1/20 0.34
PTGIR P43119 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR2A P28223 2/20 0.32

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
Styrene SCHEMBL21990603 0.85 ALDH1A1 (0.38) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL163961 0.84 CALM1 (0.46) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL26988134 0.83 MEN1 (0.44) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL28682859 0.83 SLC5A1 (0.43) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL20767519 0.81 SLC5A1 (0.39) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL2448733 0.81 ALDH1A1 (0.45) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL454171 0.81 ALDH1A1 (0.46) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL21509501 0.81 PYCR1 (0.44) ALDH1A1PYCR1MEN1MAPK1KMT2A
SCHEMBL50299 0.80 ALDH1A1 (0.48) TBXA2RPTGER3PTGER2PTGDRALDH1A1
SCHEMBL19179321 0.77 ALDH1A1 (0.52) TBXA2RPTGER3PTGER2PTGDRALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024008909-A1 INHIBITORS OF CORONAVIRUS JANSSEN PHARMACEUTICA NV (BE) 2024-01-11 WO disclosed
US-11702525-B2 Cationomeric polyolefin compositions and methods for production and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-07-18 US disclosed
WO-2020117495-A1 CATIONOMERIC POLYOLEFIN COMPOSITIONS AND METHODS FOR PRODUCTION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2020-06-11 WO disclosed
US-20200172691-A1 Cationomeric Polyolefin Compositions and Methods for Production and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2020-06-04 US disclosed