SCHEMBL11665237

SCHEMBL11665237

CCCCOc1ccc2c(c1)C(CC(=O)O)=C(C)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.46
PTPN11 Q06124 3/20 0.45
PLA2G4B P0C869 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR1 O14842 2/20 0.42
FFAR4 Q5NUL3 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL7100367 0.84 AKR1C2 (0.47) MEN1KMT2AALDH1A1GAAL3MBTL1
SCHEMBL11661492 0.84 SMN1; SMN2 (0.43) BRD4MEN1KMT2AALDH1A1NPC1
SCHEMBL11663913 0.78 METAP1 (0.42) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11665240 0.77 BRD4 (0.46) BRD4PTPN11PLA2G4BMEN1KMT2A
SCHEMBL9142278 0.76 AKR1B1 (0.45) ALDH1A1LMNA
SCHEMBL4897451 0.75 MEN1 (0.49) BRD4MEN1KMT2AALDH1A1NPC1
SCHEMBL1387817 0.75 PPARG (0.49) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11662750 0.75 ABCB11 (0.38) FFAR1KDM4E
SCHEMBL11663442 0.75 FFAR1 (0.40) GAAMAPTL3MBTL1FFAR1FFAR4
SCHEMBL17853891 0.73 METAP1 (0.46) MEN1KMT2ANPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed