SCHEMBL7907183

SCHEMBL7907183

CCC[C@H]1CC[C@H](C(=O)Oc2ccc(C)nc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2 P00734 1/20 0.40
ELANE P08246 1/20 0.39
IDH1 O75874 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GRM5 P41594 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37

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
SCHEMBL7907189 1.00 KMT2A (0.48) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL7908294 0.93 KMT2A (0.52) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL7908296 0.93 KMT2A (0.52) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL27324727 0.91 KMT2A (0.51) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL7910394 0.91 KMT2A (0.51) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL30172 0.91 KMT2A (0.51) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL27480734 0.91 KMT2A (0.44) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL27301975 0.90 KMT2A (0.50) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL27299978 0.90 KMT2A (0.50) KMT2AMAPTHTTSMN1; SMN2TDP1
SCHEMBL27306208 0.90 KMT2A (0.50) KMT2AMAPTHTTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6210760-B1 SHORT SWITCHING TIMES AND GRADIENTS AND ANGULAR DEPENDENCIES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2001-04-03 US disclosed
US-5876626-A HIGH SPEED SWITCHING MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-03-02 US disclosed
US-5387369-A With specified mixture of components; short switching times MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-07 US disclosed
US-5286410-A Positive dielectric anisotropy MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-02-15 US disclosed
CN-1037334-A Pyridine derivate MERCK PATENT GMBH (DE) 1989-11-22 CN disclosed