SCHEMBL10455812

SCHEMBL10455812

O=C(c1cccc([N+](=O)[O-])c1)c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RORC P51449 4/20 0.37
▸ POLB P06746 1/20 0.36

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
SCHEMBL10455503 0.88 POLB (0.40) ALDH1A1MAPTMGLLCES2CES1
SCHEMBL9765552 0.84 RORC (0.41) MAPTKDM4ERORC
SCHEMBL10455483 0.84 RORC (0.41) MAPTKDM4ERORC
SCHEMBL10454522 0.84 ACSL1 (0.48) RORCPOLB
SCHEMBL10455763 0.79 RORC (0.41) RORC
SCHEMBL10454495 0.78 RORC (0.40) ALDH1A1MAPTKDM4ELMNATDP1
SCHEMBL10455777 0.77 CCR3 (0.44) ALDH1A1RORC
SCHEMBL10455486 0.77 RORC (0.41) RORC
SCHEMBL10455645 0.77 BTK (0.41) RAB9ARORC
SCHEMBL10455473 0.76 KMT2A (0.44) ALDH1A1NPC1RAB9AKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP claimed
EP-0210772-A2 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP claimed
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP disclosed
US-4916147-A 3-[(4-Aroyl) phenoxy (or phenylthio)]-cyclopentanecarboxylic acid analogues and treatment of cerebral edema therewith ONO PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
EP-0210772-A2 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP disclosed
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