SCHEMBL9199012

SCHEMBL9199012

COC(=O)c1ccc(C(=O)c2c(OCc3ccccc3)cccc2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
RAB9A P51151 1/20 0.54
ATM Q13315 1/20 0.51
ALDH1A1 P00352 6/20 0.51
HTT P42858 4/20 0.51
HPGD P15428 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
RXRA P19793 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
SCHEMBL9199787 0.90 LMNA (0.56) MAPTLMNAL3MBTL1RAB9AATM
SCHEMBL9195985 0.89 ALDH1A1 (0.55) L3MBTL1ALDH1A1HTTHPGDNPSR1
SCHEMBL9199006 0.83 ALDH1A1 (0.51) ALDH1A1HTTTDP1RXRA
SCHEMBL1097551 0.82 SGMS2 (0.54) MAPTLMNAL3MBTL1RAB9AALDH1A1
SCHEMBL9195901 0.82 LMNA (0.55) MAPTLMNAL3MBTL1RAB9AATM
SCHEMBL8304467 0.81 ALDH1A1 (0.51) RAB9AALDH1A1HTTHPGDNPSR1
SCHEMBL24832772 0.80 ALDH1A1 (0.63) MAPTLMNAL3MBTL1RAB9AALDH1A1
SCHEMBL9203364 0.79 HTT (0.47) L3MBTL1RAB9AALDH1A1HTTHPGD
SCHEMBL22388846 0.79 KMT2A (0.76) MAPTLMNARAB9AALDH1A1HPGD
SCHEMBL28376684 0.78 MAPT (0.63) MAPTLMNAL3MBTL1RAB9AATM

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
EP-0687249-A1 BALANOIDS ELI LILLY AND COMPANY (US) 1995-12-20 EP disclosed
WO-1994020062-A2 BALANOIDS AS PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1994-09-15 WO disclosed