SCHEMBL9358951

SCHEMBL9358951

C/C(C(=O)O)=C(\Br)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.48
CES2 O00748 4/20 0.48
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
AKR1C3 P42330 1/20 0.43
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41
MAPT P10636 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 2/20 0.41

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
SCHEMBL3908247 1.00 CES1 (0.48) CES1CES2TSHRALDH1A1DAO
SCHEMBL7351069 0.79 TSHR (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL367456 0.78 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL1232452 0.78 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL367453 0.78 CES1 (0.54) CES1CES2TSHRALDH1A1DAO
SCHEMBL9253270 0.77 TAS1R3 (0.40) TSHRALDH1A1AKR1C3L3MBTL1KMT2A
SCHEMBL5072437 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL1562534 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL1562541 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL8104960 0.76 CES1 (0.48) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242618-B1 Transparent optical article and process for preparing same NIPPON OILS & FATS CO LTD (JP) 1994-11-02 EP claimed
US-4065428-A Polymethylmethacrylate based molding compositions MONSANTO COMPANY (US) 1977-12-27 US claimed
EP-0269821-B1 OPTICAL WAVEGUIDE HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-01 EP disclosed
EP-0269821-A1 Optical waveguide HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed
EP-0267459-A1 Transparent polymers HOECHST AKTIENGESELLSCHAFT (DE) 1988-05-18 EP disclosed