SCHEMBL9550781

SCHEMBL9550781

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX15 P16050 2/20 0.34
▸ ALOX12 P18054 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL9550786 0.86 HSD17B10 (0.36) THRBHSD17B10ALOX15ALOX12CYP1A2
SCHEMBL9813077 0.79 ALOX15 (0.35) THRBHSD17B10ALOX15ALOX12CYP1A2
SCHEMBL9492905 0.78 ALOX15 (0.47) ALOX15CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9550802 0.74 HSD17B10 (0.32) HSD17B10ALOX15ALOX12CYP1A2CYP2C9
SCHEMBL9551120 0.74 BACE1 (0.37) HSD17B10IDO1ALDH1A1MAOAMAOB
SCHEMBL9550713 0.72 THRB (0.37) THRBHSD17B10ALOX15ALOX12CYP1A2
SCHEMBL9551111 0.72 HSD17B10 (0.33) THRBHSD17B10ALOX15ALOX12CYP1A2
SCHEMBL9550790 0.72 ESR1 (0.33) THRBHSD17B10ALOX15ALOX12CYP1A2
SCHEMBL9550798 0.71 CYP2C9 (0.39) CYP2C9CYP2C19SMN1; SMN2HIF1ATSHR
SCHEMBL9550811 0.69 CA2 (0.41) THRBHSD17B10ALOX15ALOX12CYP1A2

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
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
US-4857558-A ANTIINFLAMMATORY AGENTS AND-OR ANTIALLERGENS G. D. SEARLE & CO. (US) 1989-08-15 — — US disclosed
EP-0218782-A1 Lipoxygenase-inhibiting composition and hydroxyphenylthioalkylcarbonyl compounds G.D. Searle & Co. (US) 1987-04-22 — — EP disclosed
Send feedback