SCHEMBL9550802

SCHEMBL9550802

CC(C)C(C)(O)CCSc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TTR P02766 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CA2 P00918 1/20 0.31

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
SCHEMBL9551111 0.91 HSD17B10 (0.33) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL9550790 0.82 ESR1 (0.33) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL9494838 0.81 MAPT (0.47) CYP1A2CYP2C9ALOX15CYP2C19SMN1; SMN2
SCHEMBL9550786 0.77 HSD17B10 (0.36) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL9551142 0.76 BACE1 (0.35) HSD17B10ALDH1A1CA2
SCHEMBL9550781 0.74 THRB (0.35) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL9550783 0.73 MAPT (0.45) CYP1A2CYP2C9ALOX15CYP2C19SMN1; SMN2
SCHEMBL9551134 0.73 THRB (0.33) TTRCA2
SCHEMBL9813077 0.70 ALOX15 (0.35) HSD17B10CYP1A2CYP2C9ALOX15ALOX12
SCHEMBL9550713 0.70 THRB (0.37) HSD17B10CYP1A2CYP2C9ALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5229421-A Antiallergens, antiinflammatory agents G. D. SEARLE & CO. (US) 1993-07-20 — — US disclosed
US-5208262-A Administering 4-hydroxythiophenol derivatives G. D. SEARLE & CO. (US) 1993-05-04 — — US disclosed
US-5047593-A Antiinflammatory And Antiallergy Agents G. D. SEARLE & CO. (US) 1991-09-10 — — US disclosed
EP-0218782-B1 LIPOXYGENASE-INHIBITING COMPOSITION AND HYDROXYPHENYLTHIOALKYLCARBONYL COMPOUNDS G.D. Searle & Co. (US) 1990-05-16 — — EP disclosed
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