SCHEMBL6664394

SCHEMBL6664394

O=C(O)Oc1ccc(F)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CXCR5 P32302 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FABP4 P15090 4/20 0.36

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
SCHEMBL2638148 0.88 ESR1 (0.48) TSHRPKMNPC1RAB9AKMT2A
SCHEMBL484956 0.83 HTT (0.51) TSHRPKMNPC1RAB9AKMT2A
SCHEMBL10578343 0.82 ESR1 (0.44) TSHRPKMNPC1RAB9AKMT2A
SCHEMBL2834876 0.79 ESR1 (0.53) RAB9AKMT2AMEN1ESR1NPSR1
SCHEMBL19244671 0.78 CDC25B (0.56) PKMKMT2AESR1NPSR1ESR2
Naphthalene SCHEMBL1132213 0.78 HSD17B10 (0.55) RAB9AKMT2AMEN1ESR1NPSR1
SCHEMBL18697312 0.77 TSHR (0.46) TSHRPKMNPC1RAB9AKMT2A
SCHEMBL28545665 0.77 CYP2D6 (0.42) TSHRPKMNPC1RAB9AKMT2A
SCHEMBL57244 0.75 FAAH (0.51) NPC1KMT2AGAASMN1; SMN2MAPT
SCHEMBL29721956 0.74 L3MBTL1 (0.51) TSHRKMT2AMEN1NPSR1GAA

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
EP-0952154-B1 N-acyl and N-aroyl aralkyl amides PFIZER PROD INC (US) 2004-08-18 — — EP claimed
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