Butane

Butane

SCHEMBL2586584

CCCC.CN(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.67
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
HPGD P15428 3/20 0.59
RAB9A P51151 5/20 0.57
HDAC1 Q13547 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
TP53 P04637 1/20 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
SCHEMBL33368 0.91 NPC1 (0.77) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL8849509 0.89 NPC1 (0.69) NPC1MEN1KMT2APOLBALDH1A1
Hydrochloric Acid SCHEMBL1982376 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
Ethane SCHEMBL3767932 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
Ammonia Solution, Strong SCHEMBL28138417 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL2271443 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL28360958 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL1552312 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL10626135 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1
SCHEMBL5306452 0.89 NPC1 (0.74) NPC1MEN1KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4346744-A1 THIOL URETHANE GROUP-CONTAINING POLYMERIZABLE COMPOSITION Kulzer GmbH (DE) 2024-04-10 EP disclosed
EP-3689290-B1 METHOD FOR PRODUCING A PARTIAL OR TOTAL PROSTHESIS, AND PROSTHESIS OBTAINABLE BY THIS METHOD KULZER & CO GMBH (DE) 2023-11-22 EP disclosed
EP-3273928-B1 METHOD FOR PRODUCING DENTAL PROSTHESES KULZER & CO GMBH (DE) 2022-10-05 EP disclosed
CN-109310580-B Ceramic green body filled with organic compounds having improved processing properties 古莎有限公司 2021-12-17 CN disclosed
CN-111511339-A Dental composite material and milled blank of said composite material 古莎有限公司 2020-08-07 CN disclosed
CN-111372550-A Dental composite material and milled blank of said composite material 古莎有限公司 2020-07-03 CN disclosed
EP-3654925-A2 DENTAL COMPOSITE MATERIAL AND MILL BLANKS CONSISTING OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
EP-3654924-A2 DENTAL COMPOSITE MATERIAL AND MILL BLANKS CONSISTING OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
EP-3654923-A1 DENTAL COMPOSITE MATERIAL AND MILL BLANKS CONSISTING OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
EP-3654922-A1 DENTAL COMPOSITE MATERIAL WITH ADAPTED RATIO OF FLEXURAL STRENGTH TO ELASTIC MODULUS, AND MILL BLANKS MADE OF SAID COMPOSITE MATERIAL Kulzer GmbH (DE) 2020-05-27 EP disclosed
CN-111163743-A Dental composite material and mill blank composed of said composite material 古莎有限公司 2020-05-15 CN disclosed
CN-111163742-A Dental composite having an adjusted ratio of flexural strength to elastic modulus and mill blank of said composite 古莎有限公司 2020-05-15 CN disclosed
US-8067482-B2 Material for producing plastic molded parts that can be used in the field of dentistry IVOCLAR VIVADENT AG (LI) 2011-11-29 US disclosed
US-20090036612-A1 Material for Producing Plastic Molded Parts that can be Used in the Field of Dentistry IVOCLAR VIVADENT AG (LI) 2009-02-05 US disclosed