SCHEMBL4642408

SCHEMBL4642408

[CH]=Cc1ccccc1OCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LTA4H P09960 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL4642313 0.94 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL4642855 0.89 ALDH1A1 (0.48) CYP1A2CYP2C9CYP2C19MEN1LMNA
SCHEMBL6539287 0.83 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL677507 0.83 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL7667574 0.82 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19MEN1LMNA
SCHEMBL30096940 0.82 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL6651604 0.82 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL924662 0.81 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL6756008 0.81 LMNA (0.53) CYP1A2CYP2C9CYP2C19MEN1NR1I2
SCHEMBL4947216 0.81 ALDH1A1 (0.71) CYP1A2CYP2C9CYP2C19MEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630606-B1 POSITIVE PHOTOSENSITIVE COMPOSITION THINK LABS KK (JP) 2008-08-13 EP disclosed
US-20070212640-A1 Positive Photosensitive Composition THINK LABORATORY CO., LTD. (JP) 2007-09-13 US disclosed
US-20060222998-A1 Positive photosensitive composition THINK LABORATORY CO., LTD. (JP) 2006-10-05 US disclosed
EP-1630606-A1 POSITIVE PHOTOSENSITIVE COMPOSITION THINK LABORATORY CO., LTD. (JP) 2006-03-01 EP disclosed
US-5131916-A Storage stable BAYER AKTIENGESELLSCHAFT (DE) 1992-07-21 US disclosed
EP-0417101-A1 CONDENSATION POLYMER CONTAINING THE RESIDUE OF AN ACYLOXYSTYRYL COMPOUND AND SHAPED ARTICLES PRODUCED THEREFROM EASTMAN CHEMICAL COMPANY (US) 1991-03-20 EP disclosed
WO-1989007622-A1 CONDENSATION POLYMER CONTAINING THE RESIDUE OF AN ACYLOXYSTYRYL COMPOUND AND SHAPED ARTICLES PRODUCED THEREFROM EASTMAN KODAK COMPANY (US) 1989-08-24 WO disclosed
US-4826903-A Condensation polymer containing the residue of an acyloxystyrl compound and shaped articles produced therefrom EASTMAN KODAK COMPANY (US) 1989-05-02 US disclosed