SCHEMBL846486

SCHEMBL846486

CCCCCCCCC(C)(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
MGLL Q99685 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.42
ALOX12 P18054 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL1767927 0.88 ALDH1A1 (0.49) ALDH1A1HDAC3HDAC1HDAC2POLB
SCHEMBL7919852 0.84 ALDH1A1 (0.50) ALDH1A1MGLLHDAC3HDAC1HDAC2
SCHEMBL7912761 0.84 ALDH1A1 (0.50) ALDH1A1MGLLHDAC3HDAC1HDAC2
SCHEMBL29456136 0.81 GAA (0.44) ALDH1A1
SCHEMBL29456058 0.81 GAA (0.44) ALDH1A1
SCHEMBL6344599 0.81 GAA (0.44) ALDH1A1
SCHEMBL3242856 0.81 GAA (0.44) ALDH1A1
SCHEMBL11290742 0.80 TP53 (0.50) ALDH1A1HDAC3HDAC1HDAC2MAPT
SCHEMBL3463535 0.80 SCN5A (0.44) HDAC3HDAC1HDAC2MAPTKMT2A
SCHEMBL5067238 0.80 CNR2 (0.40) HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106119113-B Organisms for the production of 1, 3-butanediol 基因组股份公司 2026-05-12 CN disclosed
CN-102762735-B Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods 基因组股份公司 2016-08-03 CN disclosed
US-8635029-B2 Systems and methods for biopolymer engineering DNA TWOPOINTO, INC. (US) 2014-01-21 US disclosed
EP-2434420-A2 Systems and methods for biopolymer engineering DNA TWOPOINTO INC. (US) 2012-03-28 EP disclosed
US-8005620-B2 Systems and methods for biopolymer engineering DNA TWOPOINTO INC. (US) 2011-08-23 US disclosed
US-20110059860-A1 SYSTEMS AND METHODS FOR BIOPOLYMER ENGINEERING DNA TWOPOINTO INC. (US) 2011-03-10 US disclosed
US-20100100331-A1 SYSTEMS AND METHODS FOR BIOPOLYMER ENGINEERING DNA TWOPOINTO INC. (US) 2010-04-22 US disclosed
EP-1939779-A2 Systems and methods for biopolymer engineering DNA TWOPOINTO INC. (US) 2008-07-02 EP disclosed
EP-1660970-A4 SYSTEMS AND METHODS FOR BIOPOLYMER ENGINEERING DNA TWOPOINTO INC (US) 2007-02-14 EP disclosed
US-20060136184-A1 Systems and methods for antibody engineering DNA TWOPOINTO INC. (US) 2006-06-22 US disclosed
EP-1660970-A2 SYSTEMS AND METHODS FOR BIOPOLYMER ENGINEERING DNA TWOPOINTO INC. (US) 2006-05-31 EP disclosed
WO-2005013090-A2 SYSTEMS AND METHODS FOR BIOPOLYMER ENGINEERING DNA TWOPOINTO INC. (US) 2005-02-10 WO disclosed