SCHEMBL11868949

SCHEMBL11868949

CCCCCC(=O)C=CC1CCC(=O)C1CCC(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTGER2 P43116 10/20 0.38
▸ PTGER4 P35408 7/20 0.38
▸ PTGER3 P43115 7/20 0.38
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ POLA1 P09884 1/20 0.36
▸ SMYD3 Q9H7B4 1/20 0.34
▸ TRPA1 O75762 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ APP P05067 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
SCHEMBL11868941 1.00 MEN1 (0.40) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11868943 1.00 MEN1 (0.40) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11485773 0.93 PTGER2 (0.45) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11862363 0.93 PTGER2 (0.45) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11862379 0.93 PTGER2 (0.45) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11862373 0.93 PTGER2 (0.45) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11865889 0.84 PTGER2 (0.53) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11865880 0.84 PTGER2 (0.53) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11865876 0.84 PTGER2 (0.53) MEN1GALR3KMT2APTGER2PTGER4
SCHEMBL11719721 0.83 PTGER2 (0.55) MEN1GALR3KMT2APTGER2PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984455-A Prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-10-05 — — US disclosed
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