SCHEMBL9766741

SCHEMBL9766741

CCCCCCCCCCCCON(CCCC)CCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.40
THRB P10828 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR3 Q9UBY5 6/20 0.37
LPAR2 Q9HBW0 5/20 0.37
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
LPAR1 Q92633 2/20 0.37
NAAA Q02083 1/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 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
SCHEMBL29034461 0.95 DNM1 (0.46) DNM1THRBTSHRMEN1HTT
SCHEMBL6679948 0.95 DNM1 (0.46) DNM1THRBTSHRMEN1HTT
SCHEMBL4791083 0.92 DNM1 (0.42) DNM1THRBTSHRMEN1HTT
Hydrochloric Acid SCHEMBL9285166 0.91 DNM1 (0.42) DNM1THRBTSHRMEN1HTT
SCHEMBL6678479 0.91 DNM1 (0.42) DNM1THRBTSHRMEN1HTT
Hydrochloric Acid SCHEMBL9282868 0.91 DNM1 (0.42) DNM1THRBTSHRMEN1HTT
SCHEMBL2352064 0.91 DNM1 (0.42) DNM1THRBTSHRMEN1HTT
Hydrochloric Acid SCHEMBL9281009 0.91 DNM1 (0.42) DNM1THRBTSHRMEN1HTT
SCHEMBL5552916 0.90 DNM1 (0.40) DNM1THRBTSHRMEN1HTT
SCHEMBL28033734 0.90 ADRB2 (0.39) DNM1TSHRALDH1A1CA1CA2

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-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US disclosed
EP-0388320-A1 Antibacterial water-soluble cutting fluids resistant to yeast-like fungi YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) 1990-09-19 EP disclosed