SCHEMBL44328

SCHEMBL44328

CCCCCCCCN(CCCCCCCC)NCC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.50
TSHR P16473 2/20 0.44
THRB P10828 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX1 P07099 1/20 0.38
GBA1 P04062 1/20 0.37
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1492452 1.00 DNM1 (0.50) DNM1TSHRTHRBCA12CA1
SCHEMBL9421760 0.97 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL1492439 0.90 DNM1 (0.46) DNM1TSHRTHRBCA12CA1
SCHEMBL464950 0.88 TSHR (0.36) DNM1TSHRTHRBCA12CA1
SCHEMBL1492434 0.87 FAAH (0.48) LMNAHSD17B10MEN1KMT2A
SCHEMBL2886721 0.83 TSHR (0.33) DNM1TSHRTHRBCA12CA1
SCHEMBL1794183 0.81 EPHX1 (0.48) DNM1TSHRTHRBEPHX1ALDH1A1
SCHEMBL1794187 0.81 EPHX1 (0.48) DNM1TSHRTHRBEPHX1ALDH1A1
SCHEMBL4469236 0.81 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL1795018 0.81 EPHX1 (0.48) DNM1TSHRTHRBEPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968113-B2 Liquid bandages BIOMEDICAL DEVELOPMENT CORP. (US) 2011-06-28 US disclosed
US-20090192475-A1 Liquid bandages BIOMEDICAL DEVELOPMENT CORPORATION 2009-07-30 US disclosed