SCHEMBL16418403

SCHEMBL16418403

Cc1ccc(C(=O)NCC(C)(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.55
▸ RAB9A P51151 5/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 1/20 0.49
▸ MMP13 P45452 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ CTSG P08311 1/20 0.45
▸ CTRB1 P17538 1/20 0.45

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
SCHEMBL13655599 0.86 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6024562 0.85 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL12301890 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL3815685 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL13157756 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14297358 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL397853 0.80 LMNA (0.56) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL16418396 0.79 LMNA (0.54) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL14500184 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAPOLB
SCHEMBL6612799 0.77 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAPOLB

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-20150030976-A1 BLACK TONER FOR DEVELOPING LATENT ELECTROSTATIC IMAGE AND METHOD FOR PRODUCING THE SAME RICOH COMPANY, LTD. (JP) 2015-01-29 — — US disclosed
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