SCHEMBL11735554

SCHEMBL11735554

COc1cccc(OCC(O)CCCCS(=O)(=O)NCCCCCCC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 3/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ PTGER1 P34995 2/20 0.45
▸ PTGER3 P43115 2/20 0.45
▸ PTGER2 P43116 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PTGDR Q13258 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MTNR1A P48039 3/20 0.41
▸ MTNR1B P49286 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CASR P41180 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ LTB4R Q15722 1/20 0.40
▸ CTSD P07339 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ FFAR1 O14842 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
SCHEMBL11728921 0.90 ADRB2 (0.46) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11725291 0.90 TBXAS1 (0.43) PTGFRTBXA2RPTGER1PTGER3PTGDR
SCHEMBL11850224 0.89 PTGFR (0.57) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11722942 0.89 TSHR (0.44) KDM4ETSHRMAPK1MTNR1AMTNR1B
SCHEMBL11730097 0.89 TBXA2R (0.51) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11728191 0.89 MEN1 (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11726066 0.89 PTGFR (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11849657 0.89 TBXA2R (0.44) PTGFRTBXA2RPTGER1PTGER3PTGER2
SCHEMBL11726284 0.89 TBXA2R (0.45) PTGFRTBXA2RPTGER1PTGER3PTGER2
Water SCHEMBL11730250 0.89 PTGFR (0.56) 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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