SCHEMBL7303738

SCHEMBL7303738

Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
NR1H4 Q96RI1 2/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
TRPV1 Q8NER1 3/20 0.52
KCNK3 O14649 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL7295360 0.91 NR1H4 (0.60) NPC1RAB9AMAPTLMNATDP1
SCHEMBL13210692 0.81 GAA (0.58) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL7301385 0.79 NPC1 (0.69) NPC1RAB9AMAPTLMNATDP1
SCHEMBL11699408 0.79 GAA (0.60) NPC1RAB9AMAPTLMNATDP1
SCHEMBL7300689 0.79 KCNK3 (0.64) NPC1RAB9AMAPTLMNATDP1
SCHEMBL8810181 0.77 ALDH1A1 (0.54) NPC1RAB9AMAPTLMNATDP1
SCHEMBL11707920 0.77 NR1H4 (0.63) NPC1RAB9ALMNANR1H4HDAC3
SCHEMBL9417205 0.76 MLYCD (0.53) NPC1RAB9AMAPTLMNATDP1
SCHEMBL7303163 0.76 HDAC3 (0.86) NPC1RAB9AMAPTLMNANR1H4
SCHEMBL16678174 0.75 HDAC3 (0.73) NPC1RAB9AMAPTNR1H4HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed