SCHEMBL11725744

SCHEMBL11725744

CCCCCCCC(O)C=CC1CCC(O)C1CCCCCCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.69
▸ PTGER4 P35408 6/20 0.59
▸ PTGER2 P43116 4/20 0.59
▸ NR4A2 P43354 3/20 0.59
▸ TSHR P16473 2/20 0.59
▸ PTGIR P43119 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ABCC3 O15438 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ RARB P10826 1/20 0.59
▸ RARG P13631 1/20 0.59
▸ DRD1 P21728 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ HIF1A Q16665 1/20 0.59
▸ PTGFR P43088 3/20 0.56

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
SCHEMBL11510133 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11720230 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11529543 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11722045 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11720265 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11724103 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL10684307 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11725381 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11725738 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR
SCHEMBL11725088 1.00 ALDH1A1 (0.69) ALDH1A1PTGER4PTGER2NR4A2TSHR

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-4054741-A Derivatives of prostanoic acid AYERST MCKENNA & HARRISON LTD. (CA) 1977-10-18 — — US disclosed
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