SCHEMBL6441956

SCHEMBL6441956

CCC(C(C(=O)c1ccc(N2CCOCC2)cc1)c1ccccc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
TSHR P16473 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MAOB P27338 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 8/20 0.43
JAK2 O60674 2/20 0.43
HPGD P15428 1/20 0.43
PAX8 Q06710 1/20 0.43
KCNQ2 O43526 1/20 0.43
MAPT P10636 4/20 0.43
GSK3B P49841 1/20 0.43
LMNA P02545 6/20 0.43
TP53 P04637 3/20 0.43
ESR1 P03372 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
MITF O75030 2/20 0.43

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
SCHEMBL966444 0.78 GSK3B (0.51) HIF1AALDH1A1MAOBSMN1; SMN2HPGD
Ammonia Solution, Strong SCHEMBL27877917 0.77 GSK3B (0.50) HIF1AALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL21480896 0.76 HIF1A (0.56) HIF1AALDH1A1MAOBSMN1; SMN2HPGD
SCHEMBL28444533 0.76 HIF1A (0.43) HIF1AALDH1A1MAOBSMN1; SMN2MAPT
SCHEMBL4620050 0.76 MAPT (0.44) HIF1AALDH1A1MAOBSMN1; SMN2HPGD
SCHEMBL28488601 0.76 RORC (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30139082 0.76 KCNQ2 (0.54) HIF1ATSHRALDH1A1CYP3A4CYP2C19
SCHEMBL4411118 0.75 RORC (0.46) TSHRALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL13005154 0.75 MAPT (0.61) ALDH1A1MAOBSMN1; SMN2HPGDMAPT
SCHEMBL25062239 0.75 LMNA (0.57) HIF1ATSHRALDH1A1MAOBCYP3A4

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-1567518-A2 OXIME ESTER PHOTOINITIATORS WITH HETEROAROMATIC GROUPS Ciba SC Holding AG (CH) 2005-08-31 EP disclosed
WO-2004050653-A2 OXIME ESTER PHOTOINITIATORS WITH HETEROAROMATIC GROUPS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-17 WO disclosed