SCHEMBL8602992

SCHEMBL8602992

O=C(O)C(O)c1cccc2c3c(ccc12)CCC(S(=O)(=O)NCC(c1ccccc1)c1ccccc1)C3

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.31
PARP1 P09874 1/20 0.31
ADRB1 P08588 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
AKR1C3 P42330 1/20 0.30

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
SCHEMBL8602989 0.81 PTGIR (0.42) ADRB3ADRB1
SCHEMBL8601668 0.71 HSP90AA1 (0.44) POLBMAPTSMN1; SMN2
SCHEMBL27476692 0.62 NQO1 (0.38) MAPT
SCHEMBL10465600 0.62 TBXA2R (0.47)
SCHEMBL9046470 0.61 PRMT5 (0.43) POLB
SCHEMBL10462980 0.58 TBXA2R (0.54)
SCHEMBL1826565 0.58 ALDH1A1 (0.50)
SCHEMBL4955989 0.58 ALDH1A1 (0.50)
SCHEMBL14376212 0.58 ALDH1A1 (0.50)
SCHEMBL4954667 0.58 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP claimed
US-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US claimed
EP-0657422-A1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-14 EP claimed
EP-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP disclosed
US-5723493-A PROSTAGLANDIN DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1998-03-03 US disclosed
US-5624959-A INHIBITING UTERINE CONTRACTIONS, PROSTAGLANDIN ANTAGONIST OR AGONIST, ANALGESICS AND ANTISECRETORY AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-04-29 US disclosed