SCHEMBL9513348

SCHEMBL9513348

CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[P-3]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.57
LMNA P02545 1/20 0.48
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
AOC3 Q16853 2/20 0.41
TRPA1 O75762 1/20 0.40
TP53 P04637 1/20 0.39
SNCA P37840 2/20 0.39
ESR1 P03372 1/20 0.36
MIF P14174 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL29563765 0.97 HIF1A (0.60) HIF1ALMNATSHRALDH1A1CYP1A2
Fluoride Ion SCHEMBL28889553 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
Iodide SCHEMBL41863 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
Iodide SCHEMBL30173683 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
Bromide SCHEMBL42887 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
Fluoride Ion SCHEMBL584733 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
Water SCHEMBL3419223 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
Iodide SCHEMBL10592900 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
SCHEMBL9513351 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2
SCHEMBL29967015 0.94 HIF1A (0.57) HIF1ALMNATSHRALDH1A1CYP1A2

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
EP-0293977-B1 Process for preparing phenolic curing agents for epoxy resins SHELL INT RESEARCH (NL) 1993-11-18 EP claimed