SCHEMBL10646952

SCHEMBL10646952

CCC(Sc1ccc2c(-c3ccccc3F)noc2c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ESR1 P03372 6/20 0.38
▸ ESR2 Q92731 6/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TACR3 P29371 2/20 0.36
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ GPBAR1 Q8TDU6 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34

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
SCHEMBL10642074 0.87 SLC22A12 (0.41) ESR1ESR2NPC1RAB9AGABRA5
SCHEMBL10648536 0.80 HTT (0.42) HTTPOLBGAAESR1ESR2
SCHEMBL10644625 0.77 POLB (0.41) HTTPOLBGAANPC1RAB9A
SCHEMBL10644382 0.76 ESR1 (0.37) ESR1ESR2NPC1RAB9ATACR3
SCHEMBL10642245 0.76 ESR1 (0.37) ESR1ESR2NPC1RAB9ATACR3
SCHEMBL10645089 0.74 ESR1 (0.39) ESR1ESR2NPC1RAB9ATACR3
SCHEMBL10645094 0.73 ESR1 (0.40) ESR1ESR2NPC1RAB9ATACR3
SCHEMBL10644924 0.72 ESR1 (0.39) POLBESR1ESR2NPC1RAB9A
SCHEMBL10663368 0.70 MAPT (0.45) NPC1RAB9ATACR3PPARGGABRA5
SCHEMBL10734372 0.70 KMO (0.43) PPARGGPBAR1

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
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