SCHEMBL11586044

SCHEMBL11586044

Cc1ccc(OP(Oc2ccc(C)c(C)c2)Oc2ccc(C)c(C)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ POLB P06746 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
SCHEMBL19399310 0.86 CA12 (0.41) TDP1L3MBTL1NPC1SMN1; SMN2KMT2A
SCHEMBL11592055 0.81 TDP1 (0.46) TDP1L3MBTL1NPC1SMN1; SMN2HAO1
SCHEMBL16508363 0.81 TDP1 (0.46) TDP1L3MBTL1NPC1SMN1; SMN2HAO1
SCHEMBL28636936 0.79 TP53 (0.48) TDP1NPC1KMT2AMAPTHPGD
SCHEMBL11424324 0.79 MCL1 (0.49) TDP1NPC1SMN1; SMN2KMT2AHPGD
SCHEMBL25671816 0.78 TDP1 (0.39) TDP1L3MBTL1NPC1SMN1; SMN2HAO1
SCHEMBL25141394 0.76 TDP1 (0.38) TDP1L3MBTL1NPC1SMN1; SMN2HAO1
SCHEMBL1159876 0.76 ALDH1A1 (0.35) TDP1SMN1; SMN2LMNAALDH1A1ATM
SCHEMBL18738950 0.76 KDM4E (0.46) TDP1L3MBTL1SMN1; SMN2KMT2ALMNA
SCHEMBL47874 0.76 KMT2A (0.57) TDP1L3MBTL1NPC1SMN1; SMN2HAO1

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-4067903-A Manufacture of arylamines BASF AKTIENGESELLSCHAFT (DT) 1978-01-10 — — US disclosed
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