SCHEMBL11749185

SCHEMBL11749185

CC(=O)OCC(C)(Oc1ccc(-c2ccc(F)cc2)cc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.38
▸ PPARG P37231 4/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ KCNN4 O15554 2/20 0.36
▸ SLC6A9 P48067 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ PPARD Q03181 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ MMP1 P03956 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
SCHEMBL11751579 0.96 KCNN4 (0.39) PPARAPPARGLMNACASP3SENP7
SCHEMBL11749695 0.92 PPARG (0.41) PPARAPPARGKCNN4PPARDMMP1
SCHEMBL11745178 0.92 MAPT (0.43) PPARAPPARGMAPTNPC1LMNA
SCHEMBL11750958 0.88 PPARA (0.38) PPARAPPARGMAPTNPC1LMNA
SCHEMBL11750749 0.87 PPARA (0.47) PPARAPPARGMAPTLMNACYP2C19
SCHEMBL11756569 0.87 MAOB (0.51) PPARAPPARGLMNAALDH1A1PPARD
SCHEMBL11752749 0.84 ALDH1A1 (0.39) PPARAPPARGNPC1LMNAALDH1A1
SCHEMBL11753871 0.83 PPARA (0.50) PPARAPPARGMAPTLMNAALDH1A1
SCHEMBL11749170 0.81 PPARA (0.39) PPARAPPARGPTGDR2MAPTNPC1
SCHEMBL11750313 0.81 SMN1; SMN2 (0.41) PPARAPPARGNPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
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