SCHEMBL9154262

SCHEMBL9154262

CCC(Br)(C(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
TSHR P16473 4/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL10883181 0.88 MEN1 (0.33) FFAR3ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL6916243 0.86 GRM2 (0.32) FFAR3ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL1533575 0.80 CES2 (0.36) MEN1CYP1A2KMT2AHDAC3HDAC1
SCHEMBL1408704 0.78 PIN1 (0.42) ALDH1A1MEN1CYP1A2KMT2ATHRB
SCHEMBL510845 0.75
SCHEMBL8679764 0.75 CES1 (0.52) ALDH1A1MEN1CYP1A2KMT2ATSHR
SCHEMBL1449044 0.75
SCHEMBL287909 0.73
Bromide SCHEMBL11404129 0.73
SCHEMBL4423823 0.73

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
EP-0367131-B1 Light-sensitive composition BASF AG (DE) 1995-02-22 EP claimed
US-5035979-A Radiation-sensitive mixture BASF AKTIENGESELLSCHAFT (DE) 1991-07-30 US claimed
US-4228300-A Polycarboxylate ethers MONSANTO COMPANY (US) 1980-10-14 US disclosed
US-3993468-A INCREASING SUCROSE CONTENT MONSANTO COMPANY (US) 1976-11-23 US disclosed