SCHEMBL28165249

SCHEMBL28165249

CCCCOc1ccccc1C[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
PPARG P37231 4/20 0.47
PTGES O14684 3/20 0.47
ALOX5 P09917 3/20 0.47
PPARA Q07869 3/20 0.46
PPARD Q03181 2/20 0.46
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GPR88 Q9GZN0 1/20 0.43
MEN1 O00255 1/20 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
SCHEMBL28165251 1.00 LMNA (0.49) LMNAPPARGPTGESALOX5PPARA
SCHEMBL11217648 0.88 LTB4R (0.47) PPARGPTGESALOX5KMT2A
SCHEMBL27995454 0.81 KMT2A (0.55) LMNASLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL27487026 0.77 PPARA (0.56) LMNAPPARGPPARAPPARDSLC6A2
SCHEMBL15703029 0.76 CYP1A2 (0.50) LMNAPPARGPTGESALOX5PPARD
SCHEMBL3485836 0.76 L3MBTL1 (0.55) PPARGPPARAPPARDL3MBTL1MAPT
SCHEMBL15702931 0.76 CYP1A2 (0.50) LMNAPPARGPTGESALOX5PPARD
SCHEMBL15118677 0.76 CYP1A2 (0.53) PPARDSLC6A3SLC6A2SLC6A4KCNH2
SCHEMBL9689273 0.75 L3MBTL1 (0.69) LMNAPPARDSLC6A3L3MBTL1MAPT
SCHEMBL27795423 0.75 LMNA (0.48) LMNAPOLBL3MBTL1MAPTCYP2C19

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
CN-107074887-A Substituted-dihydro pyrrolo-pyrazole compound 宇部兴产株式会社 2017-08-18 CN disclosed