SCHEMBL2445014

SCHEMBL2445014

c1ccc([PH](c2ccccc2)(c2ccccc2)C2CCCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
SLC18A3 Q16572 1/20 0.34
HPGD P15428 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
EPHX2 P34913 3/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX1 P07099 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
HDAC4 P56524 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL3674285 1.00 IDO1 (0.34) IDO1SLC18A3HPGDALDH1A1GAA
SCHEMBL23563764 1.00 IDO1 (0.34) IDO1SLC18A3HPGDALDH1A1GAA
Bromide SCHEMBL5723432 0.98 IDO1 (0.33) IDO1SLC18A3HPGDALDH1A1GAA
Hydrochloric Acid SCHEMBL27574177 0.98 IDO1 (0.36) IDO1SLC18A3HPGDALDH1A1GAA
SCHEMBL8299920 0.98 ALDH1A1 (0.34) IDO1SLC18A3HPGDALDH1A1GAA
Bromide SCHEMBL5723575 0.95 GAA (0.33) IDO1SLC18A3HPGDALDH1A1GAA
SCHEMBL8403993 0.93 OPRM1 (0.34) ALDH1A1GAAHTT
SCHEMBL9482285 0.92 ALDH1A1 (0.33) IDO1SLC18A3HPGDALDH1A1GAA
Oxalic Acid SCHEMBL7632154 0.90 TAAR1 (0.42) HPGDALDH1A1EPHX2RAB9AKDM4E
Oxalic Acid SCHEMBL7626635 0.90 TAAR1 (0.42) HPGDALDH1A1EPHX2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329021-B1 Preparation of advanced epoxy resins and dihydric phenols in the presence of phosphonium compounds DOW CHEMICAL CO (US) 1994-01-26 EP claimed
EP-2145231-B1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2011-09-14 EP disclosed