SCHEMBL9504441

SCHEMBL9504441

COc1c(C(C)(C)C)cc(SC)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALOX15 P16050 2/20 0.38
▸ HPN P05981 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ TNFRSF1A P19438 2/20 0.37
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ VCAM1 P19320 4/20 0.36
▸ DHFR P00374 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL8705708 0.84 PTGS2 (0.44) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL8705714 0.84 PTGS2 (0.44) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL14598537 0.83 HPN (0.57) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL21241540 0.78 HPN (0.47) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL15344011 0.75 ALOX15 (0.75) ALDH1A1ALOX15HPNMAPTSIRT5
SCHEMBL2947022 0.75 PTGS2 (0.47) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL22360314 0.75 CA1 (0.64) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL5857102 0.75 ALDH1A1 (0.52) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL190927 0.74 ALDH1A1 (0.39) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL3157771 0.73 TDP1 (0.52) PTGS2PTGS1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293895-B1 PHENOLIC THIOETHERS AS INHIBITORS OF 5-LIPOXYGENASE G.D. Searle & Co. (US) 1993-08-11 — — EP claimed
US-4835190-A Phenolic thioethers as inhbitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1989-05-30 — — US claimed
EP-0293895-A1 Phenolic thioethers as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 — — EP claimed
EP-0293895-B1 PHENOLIC THIOETHERS AS INHIBITORS OF 5-LIPOXYGENASE G.D. Searle & Co. (US) 1993-08-11 — — EP disclosed
US-4847305-A Phenolic thioethers as inhibitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1989-07-11 — — US disclosed
US-4835190-A Phenolic thioethers as inhbitors of 5-lipoxygenase G. D. SEARLE & CO. (US) 1989-05-30 — — US disclosed
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