SCHEMBL8473043

SCHEMBL8473043

O=C(Oc1ccc2c(c1)CCN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AKR1C3 P42330 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MMP2 P08253 3/20 0.39
▸ MMP13 P45452 3/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ LIPE Q05469 2/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ NAMPT P43490 1/20 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
SCHEMBL6974231 0.83 HDAC6 (0.45) HDAC6GAASMN1; SMN2AKR1C3ALDH1A1
SCHEMBL8470288 0.81 MAPT (0.42) HDAC6GAASMN1; SMN2AKR1C3ALDH1A1
SCHEMBL8470841 0.80 EPHX2 (0.40) HDAC6GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8471802 0.80 ESR1 (0.49) HDAC6GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8582518 0.77 ESR1 (0.44) GAASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL8474108 0.76 MEN1 (0.45) ALDH1A1KDM4ELMNAKMT2AHPGD
SCHEMBL8474739 0.76 PRMT5 (0.40) ALDH1A1KMT2AHPGDESR1ESR2
SCHEMBL8473578 0.75 ACACB (0.47) —
SCHEMBL8471317 0.75 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL6962135 0.75 GAA (0.60) HDAC6GAASMN1; SMN2ALDH1A1KDM4E

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-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US disclosed
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