SCHEMBL7364274

SCHEMBL7364274

O=C(O)CCC(=O)c1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
FFAR1 O14842 1/20 0.60
LMNA P02545 1/20 0.60
RAB9A P51151 1/20 0.60
HIF1A Q16665 1/20 0.60
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
GAA P10253 1/20 0.49
CSNK2A1 P68400 2/20 0.45
USP5 P45974 1/20 0.45
KMT2A Q03164 1/20 0.45
SRD5A2 P31213 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
PRKAG1 P54619 2/20 0.44
PRKAA2 P54646 2/20 0.44
PRKAB1 Q9Y478 2/20 0.44
HPGD P15428 2/20 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
SCHEMBL11757895 0.83 SRD5A2 (0.61) CYP1A2SMN1; SMN2FFAR1LMNARAB9A
SCHEMBL11758021 0.83 SMN1; SMN2 (0.67) CYP1A2SMN1; SMN2FFAR1LMNARAB9A
SCHEMBL7441533 0.81 CYP1A2 (0.60) CYP1A2SMN1; SMN2FFAR1LMNARAB9A
SCHEMBL11762828 0.81 RAB9A (0.51) CYP1A2SMN1; SMN2FFAR1LMNARAB9A
SCHEMBL2044221 0.80 SRD5A2 (0.60) ALDH1A1CSNK2A1SRD5A2TSHRPRKAG1
SCHEMBL29140064 0.80 SRD5A2 (0.60) SMN1; SMN2LMNAALDH1A1CSNK2A1KMT2A
SCHEMBL727064 0.80 TSHR (0.59) CYP1A2SMN1; SMN2FFAR1LMNARAB9A
SCHEMBL6175390 0.79 CYP1A2 (0.57) CYP1A2SMN1; SMN2FFAR1LMNARAB9A
SCHEMBL6207095 0.78 SRD5A2 (0.50) LMNAALDH1A1CSNK2A1KMT2ASRD5A2
SCHEMBL7367792 0.77 MAPT (0.55) SMN1; SMN2LMNARAB9AALDH1A1CSNK2A1

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-1028716-A1 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 2000-08-23 EP disclosed
WO-1998025597-A2 METHOD FOR TREATING AND PREVENTING HEART FAILURE AND VENTRICULAR DILATATION WARNER-LAMBERT COMPANY (US) 1998-06-18 WO disclosed
US-4021479-A ANTIPHLOGISTICS AND ANTIPROLIFERATIVES BOEHRINGER INGELHEIM GMBH (DT) 1977-05-03 US disclosed