SCHEMBL11476667

SCHEMBL11476667

COC(=O)Cc1ccc2cccc(C(F)(F)F)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.46
▸ HPGD P15428 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ NFKB1 P19838 1/20 0.41

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
SCHEMBL11471024 0.82 HPGD (0.50) PDK2HPGDMAPTTSHRALDH1A1
SCHEMBL11459759 0.80 ALDH1A1 (0.55) PDK2HPGDMAPTTSHRALDH1A1
SCHEMBL11471170 0.80 HPGD (0.48) PDK2HPGDMAPTTSHRALDH1A1
SCHEMBL11478148 0.79 HPGD (0.47) PDK2HPGDMAPTTSHRALDH1A1
SCHEMBL11472857 0.79 MTNR1A (0.47) HPGDMAPTTSHRALDH1A1GAA
SCHEMBL11466634 0.79 ALDH1A1 (0.49) HPGDMAPTTSHRALDH1A1GAA
SCHEMBL11462741 0.77 ALDH1A1 (0.48) PDK2HPGDMAPTTSHRALDH1A1
SCHEMBL11459914 0.77 SLC7A5 (0.46) HPGDMAPTTSHRALDH1A1GAA
SCHEMBL11599357 0.76 SLC7A5 (0.43) PDK2HPGDMAPTTSHRALDH1A1
SCHEMBL2642622 0.76 ALDH1A1 (0.49) PDK2ALDH1A1GAAGFERCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 — — US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 — — US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 — — US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 — — US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 — — US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 — — US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 — — US disclosed
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