SCHEMBL7401336

SCHEMBL7401336

O=C(O)CCC1OCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 4/20 0.57
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 2/20 0.51
BLM P54132 2/20 0.51
KDM4C Q9H3R0 1/20 0.49
XBP1 P17861 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL20921292 0.84 L3MBTL1 (0.63) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL7396662 0.84 L3MBTL1 (0.63) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL20906645 0.81 ALDH1A1 (0.52) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL6640390 0.81 ALDH1A1 (0.52) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL20921224 0.78 ALDH1A1 (0.50) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL7398195 0.78 ALDH1A1 (0.50) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL3563788 0.78 ALDH1A1 (0.74) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL7402123 0.78 DRD2 (0.50) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL7345136 0.77 ALDH1A1 (0.55) L3MBTL1GAAMAPTALDH1A1KMT2A
SCHEMBL30373690 0.77 ALDH1A1 (0.55) L3MBTL1GAAMAPTALDH1A1KMT2A

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 5 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