SCHEMBL8035403

SCHEMBL8035403

CC(O)CCC/C=C/c1ccc(-c2cnc(-c3ccc(O)cn3)nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL8035407 1.00 NPC1 (0.35) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL8045659 0.94 NPC1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8045663 0.94 NPC1 (0.39) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL8045630 0.91 SMN1; SMN2 (0.37) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8045632 0.91 SMN1; SMN2 (0.37) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8046754 0.90 SMN1; SMN2 (0.38) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8046756 0.90 SMN1; SMN2 (0.38) NPC1RAB9AHDAC3HDAC4HDAC1
SCHEMBL8046131 0.89 RAB9A (0.49) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL8049281 0.89 RAB9A (0.49) NPC1RAB9AMEN1KMT2AHDAC3
SCHEMBL8049285 0.89 RAB9A (0.49) NPC1RAB9AMEN1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-6030546-A FERROELECTRIC PHASE; LOW VISCOSITY;, THERMOSENSITIVITY OVER A BROAD AND EXHIBITS A LARGE TILT ANGLE AND A HIGH-SPEED RESPONSE PROPERTY;CHEMICAL INTERMEDIATES FOR PESTICIDES, DRUGS AND LIQUID CRYSTALS; BORIDING AND HYDROLYSIS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-29 US disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed