SCHEMBL11734124

SCHEMBL11734124

COc1cccc(OCC(O)CCCN(CC=CCCCC(=O)O)S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PTGFR P43088 4/20 0.38
▸ TBXA2R P21731 2/20 0.38
▸ PTGER1 P34995 2/20 0.38
▸ PTGER3 P43115 2/20 0.38
▸ PTGER2 P43116 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 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
SCHEMBL11734107 1.00 TSHR (0.42) TSHRMAPK1KDM4EALDH1A1LMNA
SCHEMBL11736071 0.91 ADRB2 (0.40) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11736076 0.91 ADRB2 (0.40) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11733985 0.90 PTGFR (0.39) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11727626 0.90 ALDH1A1 (0.39) KDM4EALDH1A1LMNAPTGFRTBXA2R
SCHEMBL11733997 0.90 PTGFR (0.39) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11728579 0.90 PTGFR (0.37) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11729663 0.90 PTGFR (0.38) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11727615 0.90 ALDH1A1 (0.39) KDM4EALDH1A1LMNAPTGFRTBXA2R
SCHEMBL11728564 0.90 PTGFR (0.37) PTGFRTBXA2RPTGER1PTGER3PTGER2

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-4055596-A PHARMACEUTICALS MERCK & CO., INC. (US) 1977-10-25 — — US disclosed
US-3991106-A FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY MERCK & CO., INC. (US) 1976-11-09 — — US disclosed
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