SCHEMBL10946013

SCHEMBL10946013

CCOC(OCC)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HCRTR1 O43613 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ GAA P10253 4/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ P2RY12 Q9H244 2/20 0.48
▸ GLA P06280 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ IMPDH2 P12268 5/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL10945023 0.97 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10942642 0.93 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10943641 0.91 ALDH1A1 (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10939979 0.77 ALDH1A1 (0.50) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10944403 0.77 NPC1 (0.63) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL26119516 0.77 KIF11 (0.71) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17874531 0.76 GAA (0.63) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10946614 0.76 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2AHCRTR1
SCHEMBL10941773 0.75 GAA (0.51) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10944599 0.74 ALDH1A1 (0.47) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
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