SCHEMBL24522869

SCHEMBL24522869

C=CC(=O)OCCCCCCCCOc1cc(=O)oc2cc(OC(F)(F)C(F)(F)F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.47
▸ AGER Q15109 2/20 0.42
▸ KCNA3 P22001 1/20 0.41
▸ PPARA Q07869 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 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
SCHEMBL24522933 0.85 HDAC1 (0.55) HDAC1AGERKCNA3PPARACYP19A1
SCHEMBL24522842 0.79 HDAC1 (0.45) HDAC1AGERKCNA3PPARACYP19A1
SCHEMBL24522988 0.79 KCNA3 (0.62) KCNA3CYP19A1CA12CA1CA9
SCHEMBL24522688 0.79 KCNA3 (0.62) KCNA3CYP19A1CA12CA1CA9
SCHEMBL24522975 0.79 KCNA3 (0.62) KCNA3CYP19A1CA12CA1CA9
SCHEMBL24522650 0.79 KCNA3 (0.62) KCNA3CYP19A1CA12CA1CA9
SCHEMBL24531635 0.78 ALDH1A1 (0.51) HDAC1KCNA3ALDH1A1CYP3A4TSHR
SCHEMBL24522694 0.78 AR (0.40) HDAC1AGERPPARACYP19A1ALDH1A1
SCHEMBL24522991 0.78 HDAC1 (0.46) HDAC1KCNA3CYP19A1CA12CA1
SCHEMBL24522860 0.77 KCNA3 (0.44) HDAC1KCNA3CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022128832-A1 OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2022-06-23 — — WO disclosed
EP-4015512-A1 OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2022-06-22 — — EP disclosed
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