SCHEMBL11088435

SCHEMBL11088435

CCCCCC(CCNC(CCCCCCC(=O)OCC)C(=O)OCC)OC1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
EPHX2 P34913 6/20 0.37
TSHR P16473 1/20 0.36
NAAA Q02083 2/20 0.35
POLB P06746 1/20 0.33
NOD1 Q9Y239 1/20 0.33

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
SCHEMBL11098249 0.84 PTGER4 (0.37) KMT2ATSHRNOD1
SCHEMBL3700286 0.82 NAAA (0.44) EPHX2NAAA
SCHEMBL11745278 0.81 NAAA (0.34) EPHX2NAAA
SCHEMBL11743217 0.81 NAAA (0.34) EPHX2NAAA
SCHEMBL11786695 0.80 NAAA (0.36) EPHX2NAAA
SCHEMBL3707695 0.78 FFAR4 (0.46) KMT2ATSHRNAAA
SCHEMBL11084900 0.77 KMT2A (0.47) KMT2AEPHX2TSHRNAAAPOLB
SCHEMBL11088768 0.76 KMT2A (0.54) KMT2ATSHRPOLBNOD1
SCHEMBL11082245 0.76 KMT2A (0.54) KMT2ATSHRPOLBNOD1
SCHEMBL11086874 0.76 KMT2A (0.46) KMT2AEPHX2TSHRNAAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
EP-0001238-B1 HYDANTOIN DERIVATIVES, THEIR SYNTHESIS, PHARMACEUTICAL FORMULATIONS AND INTERMEDIATES IN THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1984-07-04 EP disclosed
US-4436899-A REACTION OF ORGANIC PHOSPHONATE OR PHOSPHATE WITH TETRAVALENT METAL COMPOUND OCCIDENTAL RESEARCH CORPORATION (US) 1984-03-13 US disclosed
EP-0010366-B1 SOLID ORGANOMETALLIC INORGANIC POLYMERS AND THEIR APPLICATION OCCIDENTAL RESEARCH CORPORATION (US) 1983-02-16 EP disclosed
EP-0010857-B1 LAYERED OR AMORPHOUS ORGANOMETALLIC INORGANIC POLYMERS AND THEIR USE OCCIDENTAL RESEARCH CORPORATION (US) 1982-10-20 EP disclosed
US-4298723-A ION EXCHANGERS, CATALYSTS, SORBENTS, CONTROLLED RELEASE, INTERCALATION COMPOUNDS OCCIDENTAL RESEARCH CORPORATION (US) 1981-11-03 US disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed
US-4256872-A INTERCALATION COMPOUNDS PREPARED BY THE METATHESIS REACTION IN LIQUID PHASE OF AN INORGANIC TETRAVALENT METAL COMPOUND AND AN ORGANIC PHOSPHONATE; ION EXCHANGERS OCCIDENTAL RESEARCH CORPORATION (US) 1981-03-17 US disclosed
US-4235990-A CRYSTALS WHICH DISPLAY INTERCALATION ACTIVITY OR CAN BE AMORPHOUS OCCIDENTAL RESEARCH CORPORATION (US) 1980-11-25 US disclosed
US-4232146-A Process for preparing layered organophosphorus inorganic polymers OCCIDENTAL RESEARCH CORPORATION (US) 1980-11-04 US disclosed
US-4204068-A Nitrogen heterocycles BURROUGHS WELLCOME CO. (US) 1980-05-20 US disclosed
EP-0010857-A2 Layered or amorphous organometallic inorganic polymers and their use OCCIDENTAL RESEARCH CORPORATION (US) 1980-05-14 EP disclosed
EP-0010366-A1 Solid organometallic inorganic polymers and their application OCCIDENTAL RESEARCH CORPORATION (US) 1980-04-30 EP disclosed
WO-1980000703-A1 SOLID ORGANOMETALLIC INORGANIC POLYMERS OCCIDENTAL RES CORP (US) 1980-04-17 WO disclosed
WO-1980000704-A1 LAYERED OR AMORPHOUS ORGANOMETALLIC INORGANIC POLYMERS OCCIDENTAL RES CORP (US) 1980-04-17 WO disclosed
EP-0001238-A1 Hydantoin derivatives, their synthesis, pharmaceutical formulations and intermediates in their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1979-04-04 EP disclosed