SCHEMBL9150373

SCHEMBL9150373

COc1cc(Cl)ccc1P(CCCP(c1ccc(Cl)cc1OC)c1ccc(Cl)cc1OC)c1ccc(Cl)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.42
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR3E A5X5Y0 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
SCHEMBL8214372 0.80 CA12 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9699314 0.79 TSHR (0.42) SLC6A4SLC6A2MEN1KMT2AGAA
SCHEMBL668348 0.79 TRPV4 (0.48) TRPV4SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL9151398 0.74 SMN1; SMN2 (0.38) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL29433653 0.73 CA1 (0.48) LMNAALDH1A1HTTTDP1
SCHEMBL2332056 0.73 CA1 (0.48) LMNAALDH1A1HTTTDP1
SCHEMBL8722412 0.72 CA12 (0.54) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL8164294 0.72 CA1 (0.46) LMNAALDH1A1HTTTDP1
SCHEMBL8335436 0.71 CA12 (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL2827783 0.71 CA1 (0.41) LMNAALDH1A1MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434117-A Catalyst system and copolymerization process SHELL OIL COMPANY (US) 1995-07-18 US disclosed