SCHEMBL6202032

SCHEMBL6202032

O=C(CC(Cc1ccccc1)N1CCOCC1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 6/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 3/20 0.50
MMP8 P22894 1/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
CYP2C19 P33261 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
FKBP1A P62942 1/20 0.43
IDO1 P14902 1/20 0.43
LMNA P02545 3/20 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
SCHEMBL30069469 0.87 HSD17B10 (0.50) HSD17B10ALDH1A1MAPTKMT2AMMP8
SCHEMBL4562032 0.79 POLB (0.48) HSD17B10ALDH1A1KMT2AMMP8POLB
SCHEMBL28902591 0.78 HSD17B10 (0.69) HSD17B10ALDH1A1MAPTKMT2ATSHR
SCHEMBL15599303 0.78 HSD17B10 (1.00) HSD17B10ALDH1A1MAPTKMT2ATSHR
SCHEMBL6318911 0.77 CYP2C19 (0.74) HSD17B10ALDH1A1MAPTKMT2ATSHR
SCHEMBL6985270 0.76 IDO1 (0.50) HSD17B10ALDH1A1KMT2AMMP8POLB
SCHEMBL9503182 0.76 HSD17B10 (0.79) HSD17B10ALDH1A1MAPTKMT2ATSHR
SCHEMBL7280926 0.75 LMNA (0.68) HSD17B10ALDH1A1MAPTKMT2AMMP8
Hydrochloric Acid SCHEMBL5758790 0.75 DPP4 (0.48) HSD17B10ALDH1A1KMT2AMMP8POLB
SCHEMBL9516925 0.75 LMNA (0.68) HSD17B10ALDH1A1MAPTKMT2AMMP8

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-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed