SCHEMBL19748745

SCHEMBL19748745

[CH2]Cc1cccc(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX3 P56373 1/20 0.39
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
HTT P42858 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39

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
SCHEMBL424866 0.84 L3MBTL1 (0.50) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL623350 0.82 L3MBTL1 (0.49) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL6089197 0.81 L3MBTL1 (0.47) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL5693066 0.81 L3MBTL1 (0.47) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL13806631 0.81 L3MBTL1 (0.47) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL18280304 0.81 L3MBTL1 (0.47) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL2336127 0.81 DUSP3 (0.59) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL5164770 0.79 BID (0.53) L3MBTL1TDP1KDM4EHSD17B10BID
SCHEMBL5479665 0.79 L3MBTL1 (0.50) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL355272 0.79 TDP1 (0.61) L3MBTL1TDP1KDM4EALDH1A1HPGD

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-2017223514-A9 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2018-04-12 WO claimed
WO-2017223514-A1 LXR INVERSE AGONISTS FOR TREATMENT OF CANCER SAINT LOUIS UNIVERSITY (US) 2017-12-28 WO claimed