SCHEMBL18539809

SCHEMBL18539809

COC(=O)c1ccc(COc2c(C)cc(C(C)(C)C)cc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 2/20 0.48
NR4A2 P43354 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
EGFR P00533 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
SCHEMBL18539818 0.87 RAB9A (0.46) RAB9AMAPTLMNAL3MBTL1CA1
SCHEMBL22086448 0.84 LMNA (0.56) RAB9AMAPTLMNAL3MBTL1HPGD
SCHEMBL20772141 0.82 ALDH1A1 (0.54) RAB9AMAPTLMNAL3MBTL1CA1
SCHEMBL13439695 0.80 NR4A2 (0.74) RAB9AMAPTLMNAL3MBTL1CA1
SCHEMBL10396483 0.80 NR4A2 (0.74) RAB9AMAPTLMNAL3MBTL1CA1
SCHEMBL7228005 0.78 MAPT (0.52) RAB9AMAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL13439714 0.78 NR4A2 (0.61) RAB9AMAPTLMNAL3MBTL1CA1
SCHEMBL3451350 0.76 RAB9A (0.42) RAB9AMAPTLMNAL3MBTL1CA1
SCHEMBL14112773 0.76 MAPT (0.46) MAPTLMNAL3MBTL1HPGDSMN1; SMN2
SCHEMBL18539820 0.76 MAPT (0.49) RAB9AMAPTLMNAL3MBTL1HPGD

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-20170051224-A1 HYDROGENATED POLYMERS WITH A RADIAL STRUCTURE HAVING A CORE BASED ON CALIXARENES AND USE THEREOF IN LUBRICANT COMPOSITIONS ENI S.P.A. (IT) 2017-02-23 US disclosed