SCHEMBL10641984

SCHEMBL10641984

CC(Sc1ccc2c(-c3ccc(Cl)cc3)noc2c1Cl)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 2/20 0.43
▸ PPARA Q07869 6/20 0.38
▸ GPBAR1 Q8TDU6 5/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 3/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ THRB P10828 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL10643048 0.82 GPBAR1 (0.39) PPARAGPBAR1PPARGPPARDMEN1
SCHEMBL10642613 0.79 KDM4E (0.43) TYMPPPARAGPBAR1PPARGPPARD
SCHEMBL10647442 0.76 CA1 (0.37) PPARAGPBAR1PPARGPPARDTHRB
SCHEMBL10643636 0.75 GPBAR1 (0.34) PPARAGPBAR1PPARGPPARDTHRB
SCHEMBL10656039 0.74 PPARA (0.42) PPARAPPARGPPARDFFAR4
SCHEMBL10659796 0.71 PPARD (0.48) PPARAPPARGPPARDMAPTFFAR4
SCHEMBL11557734 0.71 HTR2A (0.39) GPBAR1MAPT
SCHEMBL11557738 0.71 ESR1 (0.44) GPBAR1MEN1KMT2A
SCHEMBL10644625 0.70 POLB (0.41) PPARAGPBAR1PPARGPPARDMEN1
SCHEMBL10647120 0.68 PTGDR2 (0.36) GPBAR1MEN1KMT2AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0147691-B1 ANTIHYPERTENSIVE 3-ARYL-1,2-BENZISOXAZOLSULFONYL AND-SULFINYL-ALKANOIC ACIDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 — — EP disclosed
US-4602028-A Antihypertensive 3-aryl-1,2-benzisoxazol-sulfonyl and sulfinylalkanoic acids HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1986-07-22 — — US disclosed
EP-0147691-A1 Antihypertensive 3-aryl-1,2-benzisoxazolsulfonyl and-sulfinyl-alkanoic acids, a process for their preparation and their use for the preparation of medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-07-10 — — EP disclosed
Send feedback