SCHEMBL20040504

SCHEMBL20040504

O=C(OBr)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 10/20 0.59
CES1 P23141 9/20 0.59
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
MAPT P10636 2/20 0.44
PTPN1 P18031 1/20 0.43
GSK3B P49841 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
PARP1 P09874 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9750434 0.80 CES2 (0.65) CES2CES1F2LMNATSHR
SCHEMBL4094781 0.78 CES2 (0.62) CES2CES1F2LMNATSHR
SCHEMBL27789977 0.76 CES2 (0.59) CES2CES1F2LMNATSHR
SCHEMBL27957931 0.76 CES2 (0.59) CES2CES1F2LMNATSHR
SCHEMBL27896096 0.76 CES2 (0.59) CES2CES1F2LMNATSHR
Benzene SCHEMBL28195988 0.76 TSHR (0.60) CES2CES1F2LMNATSHR
SCHEMBL42428 0.76 TSHR (0.60) CES2CES1F2LMNATSHR
SCHEMBL2555045 0.76 CES2 (0.59) CES2CES1F2LMNATSHR
SCHEMBL11648519 0.76 CES2 (0.59) CES2CES1F2LMNATSHR
Benzil SCHEMBL66 0.76 CES2 (1.00) CES2CES1F2LMNATSHR

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-114573912-A Automobile air outlet thumb wheel with fluorescent function and production process thereof 常州市佳乐车辆配件制造有限公司 2022-06-03 CN disclosed
EP-2203496-B1 PHOTOLATENT CATALYSTS BASED ON ORGANOMETALLIC COMPOUNDS BASF SE (DE) 2018-04-11 EP disclosed