SCHEMBL11728191

SCHEMBL11728191

CC(=O)c1cccc(OCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ABCB1 P08183 9/20 0.44
▸ TBXA2R P21731 2/20 0.44
▸ PTGER1 P34995 2/20 0.44
▸ PTGFR P43088 2/20 0.44
▸ PTGER3 P43115 2/20 0.44
▸ PTGER2 P43116 1/20 0.44
▸ ATM Q13315 2/20 0.43
▸ PTGDR Q13258 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAOB P27338 1/20 0.39

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
SCHEMBL11733944 0.89 KMT2A (0.42) MEN1KMT2ATAAR1ABCB1ATM
SCHEMBL11726284 0.89 TBXA2R (0.45) ABCB1TBXA2RPTGER1PTGFRPTGER3
SCHEMBL11735554 0.89 PTGFR (0.45) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11728921 0.89 ADRB2 (0.46) KMT2ATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11850224 0.88 PTGFR (0.57) KMT2ATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11730097 0.87 TBXA2R (0.51) MEN1KMT2ATBXA2RPTGER1PTGFR
SCHEMBL11726066 0.87 PTGFR (0.44) TBXA2RPTGER1PTGFRPTGER3PTGER2
SCHEMBL11849657 0.87 TBXA2R (0.44) KMT2ATBXA2RPTGER1PTGFRPTGER3
Water SCHEMBL11730250 0.87 PTGFR (0.56) KMT2ATBXA2RPTGER1PTGFRPTGER3
SCHEMBL11728034 0.87 TBXA2R (0.47) KMT2ATBXA2RPTGER1PTGFRPTGER3

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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