SCHEMBL7575843

SCHEMBL7575843

CCCOc1cccc2s[c]nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.47
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 1/20 0.36
GRM5 P41594 1/20 0.35
RAB9A P51151 1/20 0.35
NCF1 P14598 1/20 0.35
HIF1A Q16665 1/20 0.35
TLR8 Q9NR97 1/20 0.34
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7583364 0.92 MCHR1 (0.48) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7580732 0.91 MCHR1 (0.49) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7585532 0.90 MCHR1 (0.50) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL557732 0.87 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL558137 0.78 ALDH1A1 (0.49) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7585003 0.77 KMT2A (0.35) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5756170 0.77 NPC1 (0.36) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL5760823 0.76 GAA (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL557496 0.74 MCHR1 (0.44) MCHR1ALDH1A1MEN1KMT2ATDP1
SCHEMBL5758606 0.74 HTT (0.41) ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882730-B1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-10-02 EP disclosed
US-5985858-A TREATING AND PREVENTING HYPERLIPIDEMIA, DIABETES AND CATARACT, OR AS AN ANTITUMOR AGENT OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-11-16 US disclosed
EP-0882730-A1 PHOSPHONIC ACID DIESTER DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-12-09 EP disclosed