SCHEMBL7990915

SCHEMBL7990915

CCc1ccc(OCCCc2c[nH]c(OC(=O)C(=O)Oc3nc(CCCOc4ccc(CC)cc4)c[nH]3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL7976831 0.88 FFAR1 (0.37) MEN1KMT2AHRH3
SCHEMBL7991427 0.84 HRH3 (0.37) LMNAMAPTKDM4EL3MBTL1HRH3
SCHEMBL7991347 0.83 MEN1 (0.48) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL7994316 0.81 CXCR4 (0.38) LMNAALDH1A1MAPTHPGDMEN1
SCHEMBL7991433 0.80 ALDH1A1 (0.43) LMNAALDH1A1MAPTSMN1; SMN2L3MBTL1
SCHEMBL7988354 0.79 SMN1; SMN2 (0.45) MAPTHPGDSMN1; SMN2MEN1KMT2A
Oxalic Acid SCHEMBL7990912 0.73 MEN1 (0.47) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7990787 0.73 MCL1 (0.48) LMNAALDH1A1MEN1KMT2AKDM4E
SCHEMBL6861934 0.72 HAO1 (0.34) HRH3
SCHEMBL7991126 0.72 HDAC4 (0.38) LMNAMAPTHPGDSMN1; SMN2KMT2A

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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed