SCHEMBL7399518

SCHEMBL7399518

CC(=O)CC1OCCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KMT2A Q03164 5/20 0.56
LMNA P02545 2/20 0.56
XBP1 P17861 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
BLM P54132 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
THRB P10828 1/20 0.49
TSHR P16473 2/20 0.48
RECQL P46063 2/20 0.48
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL20921292 0.86 L3MBTL1 (0.63) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL7396662 0.86 L3MBTL1 (0.63) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL7403424 0.81 MAPT (0.54) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL13197463 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL30373690 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL7345136 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL9684645 0.78 ALDH1A1 (0.55) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL8296282 0.77 L3MBTL1 (0.51) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL7402963 0.77 L3MBTL1 (0.53) ALDH1A1KMT2ALMNAXBP1L3MBTL1
SCHEMBL7401336 0.77 L3MBTL1 (0.67) ALDH1A1KMT2ALMNAXBP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6133446-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 2000-10-17 US disclosed
EP-0737189-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS UPJOHN CO (US) 1999-07-28 EP disclosed
US-5877317-A Heterocyclic compounds for the treatment of CNS and cardiovascular disorders PHARMACIA & UPJOHN COMPANY (US) 1999-03-02 US disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1995018118-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS THE UPJOHN COMPANY (US) 1995-07-06 WO disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed