SCHEMBL29178174

SCHEMBL29178174

CCCCC(CC)Cc1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5936011 0.94 CYP3A4 (0.44) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL22130357 0.84 PRSS1 (0.40) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL17491581 0.84 ALDH1A1 (0.42) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL9807559 0.83 ALDH1A1 (0.44) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL29746097 0.83 ALDH1A1 (0.44) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL5936012 0.83 ALDH1A1 (0.44) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL451641 0.82 CYP3A4 (0.41) L3MBTL1CYP3A4TSHRCA2ALDH1A1
SCHEMBL1958087 0.80 THRA (0.42) L3MBTL1MEN1KMT2A
SCHEMBL272120 0.80 THRA (0.42) L3MBTL1MEN1KMT2A
SCHEMBL30038205 0.80 THRA (0.42) L3MBTL1MEN1KMT2A

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-115916929-B Use of oils comprising non-neurotoxic antiwear additives NYCO公司 2024-01-30 CN disclosed