SCHEMBL10644625

SCHEMBL10644625

CCC(Sc1ccc2c(-c3ccccc3F)noc2c1Cl)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ GPBAR1 Q8TDU6 2/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ TACR3 P29371 2/20 0.35
▸ GABRA5 P31644 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CTSA P10619 1/20 0.33
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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 0.87 GPBAR1 (0.39) GPBAR1PTGS1GABRA5PPARGPPARD
SCHEMBL10737555 0.80 STK17B (0.38) GPBAR1PTGS1PPARGPPARDPPARA
SCHEMBL10663076 0.78 SLC22A12 (0.43) GPBAR1PTGS1
SCHEMBL10661841 0.78 MAPT (0.41) GPBAR1PTGS1TACR3PPARGPPARD
SCHEMBL10646952 0.77 HTT (0.41) POLBGPBAR1TACR3GABRA5PTGS2
SCHEMBL10642311 0.77 GPBAR1 (0.36) GPBAR1PTGS1TACR3GABRA5PPARG
SCHEMBL10645064 0.77 GPBAR1 (0.36) GPBAR1PTGS1TACR3GABRA5PPARG
SCHEMBL10660008 0.75 GPBAR1 (0.37) POLBGPBAR1PTGS1GABRA5ALOX5
SCHEMBL10738125 0.74 PPARG (0.44) GPBAR1PTGS1GABRA5PPARGPPARD
SCHEMBL10642629 0.73 GPBAR1 (0.38) GPBAR1PTGS1GABRA5PPARGPPARD

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
US-4728662-A DIURETICS, URICOSURICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-03-01 — — US disclosed
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-4673746-A DIURETICS, HYPOTENSIVES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1987-06-16 — — US 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
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