SCHEMBL2806415

SCHEMBL2806415

CC/C(=C/Br)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
ESR1 P03372 3/20 0.39
ESR2 Q92731 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP19A1 P11511 1/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37

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
SCHEMBL17188465 1.00 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL2806416 1.00 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL515424 0.81 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL515423 0.81 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL6027480 0.81 ATM (0.48) ATMCES2CES1ESR1ESR2
SCHEMBL3685990 0.79 PTGS2 (0.52) CES2CES1ESR1
SCHEMBL9709647 0.79 HDAC1 (0.55) CES2CES1HDAC1HDAC2HDAC3
SCHEMBL498532 0.79 ATM (0.52) ATMCES2CES1ESR1ESR2
SCHEMBL16787362 0.77 ATM (0.45) ATMCES2CES1ESR1ESR2
SCHEMBL17188467 0.77 MAOA (0.57) ATMCES2CES1ESR1ESR2

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-2206550-B1 MICROREACTOR AND LIQUID PHASE CHEMICAL REACTION METHOD USING THE MICROREACTOR NIPPON SODA CO (JP) 2016-11-30 EP disclosed
US-9161922-B2 Amine oxidase inhibitors CASE WESTERN RESERVE UNIVERSITY (US) 2015-10-20 US disclosed
US-8609034-B2 Microreactor and liquid phase chemical reaction method using microreactor NIPPON SODA CO., LTD. (JP) 2013-12-17 US disclosed
US-20100210876-A1 MICROREACTOR AND LIQUID PHASE CHEMICAL REACTION METHOD USING MICROREACTOR NIPPON SODA CO., LTD. (JP) 2010-08-19 US disclosed
EP-2206550-A1 MICROREACTOR AND LIQUID PHASE CHEMICAL REACTION METHOD USING THE MICROREACTOR Nippon Soda Co., Ltd. (JP) 2010-07-14 EP disclosed