SCHEMBL7522889

SCHEMBL7522889

C1=Cc2cc(C(=C(c3ccccc3)c3ccc4c(c3)C=C4)c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.43
CES2 O00748 6/20 0.42
CES1 P23141 5/20 0.42
SNCA P37840 2/20 0.41
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
P2RX4 Q99571 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.38
SRD5A2 P31213 1/20 0.38
ESR1 P03372 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL7522895 0.89 PTPRC (0.37) PTPRCCES2CES1SNCATSHR
SCHEMBL9320769 0.83 PTPRC (0.62) PTPRCALDH1A1TDP1L3MBTL1ATM
SCHEMBL4038710 0.78 MEN1 (0.47) PTPRCCES2CES1TSHRDAO
SCHEMBL9123084 0.76 TSHR (0.52) CES2CES1TSHRDAONAPRT
SCHEMBL9542326 0.76 ATM (0.58) PTPRCALDH1A1TDP1L3MBTL1ATM
Hydrochloric Acid SCHEMBL9365820 0.74 TSHR (0.50) TSHRDAONAPRTALDH1A1L3MBTL1
Benzene SCHEMBL28326432 0.74 CES1 (0.53) CES2CES1SNCATSHRDAO
SCHEMBL67982 0.74 CES1 (0.53) CES2CES1SNCATSHRDAO
SCHEMBL9320133 0.71 MAPT (0.48) ALDH1A1L3MBTL1MAPTCA5ASMN1; SMN2
SCHEMBL14582286 0.71 MAPT (0.67) CES2CES1TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506314-B1 Process for preparing vinylically-unsaturated compounds DOW CHEMICAL CO (US) 2002-01-30 EP disclosed
US-5264646-A Vinylation, benzocyclobutenes, polysiloxanes THE DOW CHEMICAL COMPANY (US) 1993-11-23 US disclosed
EP-0506314-A2 Process for preparing vinylically-unsaturated compounds THE DOW CHEMICAL COMPANY (US) 1992-09-30 EP disclosed