SCHEMBL10456909

SCHEMBL10456909

CCCCOc1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
LTA4H P09960 2/20 0.44
KMT2A Q03164 2/20 0.41
CYP19A1 P11511 1/20 0.41
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL1837899 0.97 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
Bromide SCHEMBL30432008 0.90 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19KMT2ATP53
SCHEMBL1837833 0.89 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
SCHEMBL1835622 0.88 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19KMT2ATP53
SCHEMBL9181053 0.84 ALDH1A1 (0.47) CYP1A2CYP2C19LTA4HLMNAMAPT
SCHEMBL30707397 0.84 ALDH1A1 (0.47) CYP1A2CYP2C19LTA4HLMNAMAPT
SCHEMBL280058 0.83 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
SCHEMBL6291581 0.82 LMNA (0.53) CYP1A2CYP2C9CYP2C19LTA4HKMT2A
SCHEMBL19326854 0.81 KCNH2 (0.38) TP53LMNAMAPTCYP3A4ALDH1A1
SCHEMBL19829788 0.81 KCNH2 (0.38) TP53LMNAMAPTCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174174-B1 A METHOD OF STABILISING HYDROXY-CONTAINING POLYMERS OF BUTADIENE OR SUBSTITUTED DERIVATIVES THEREOF ELF ATOCHEM S.A. (FR) 1990-05-23 EP claimed
US-4593128-A Using a di- or triphenylphosphine compound ATLANTIC RICHFIELD COMPANY (US) 1986-06-03 US claimed
EP-0174174-A2 A method of stabilising hydroxy-containing polymers of butadiene or substituted derivatives thereof ELF ATOCHEM S.A. (FR) 1986-03-12 EP claimed
EP-0174174-B1 A METHOD OF STABILISING HYDROXY-CONTAINING POLYMERS OF BUTADIENE OR SUBSTITUTED DERIVATIVES THEREOF ELF ATOCHEM S.A. (FR) 1990-05-23 EP disclosed
US-4593128-A Using a di- or triphenylphosphine compound ATLANTIC RICHFIELD COMPANY (US) 1986-06-03 US disclosed
EP-0174174-A2 A method of stabilising hydroxy-containing polymers of butadiene or substituted derivatives thereof ELF ATOCHEM S.A. (FR) 1986-03-12 EP disclosed