SCHEMBL19442013

SCHEMBL19442013

O=C(OCC(=O)N1CCCC1C(=O)OCc1ccccc1)c1ccc(O)o1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 10/20 0.53
▸ ACE P12821 4/20 0.47
▸ KLK7 P49862 1/20 0.46
▸ KLK5 Q9Y337 1/20 0.46
▸ PREP P48147 2/20 0.45

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
SCHEMBL11980699 0.90 FKBP1A (0.53) FKBP1AACEKLK7KLK5PREP
SCHEMBL16650233 0.83 FKBP1A (0.46) FKBP1AACEKLK7KLK5
SCHEMBL11985167 0.81 FKBP1A (0.51) FKBP1AACEKLK7KLK5PREP
SCHEMBL6787731 0.81 FKBP1A (0.62) FKBP1AACEKLK7KLK5PREP
SCHEMBL6787737 0.81 FKBP1A (0.62) FKBP1AACEKLK7KLK5PREP
SCHEMBL6786158 0.81 FKBP1A (0.65) FKBP1AACEKLK7KLK5PREP
SCHEMBL6786152 0.81 FKBP1A (0.65) FKBP1AACEKLK7KLK5PREP
SCHEMBL7969235 0.81 FKBP1A (0.65) FKBP1AACEKLK7KLK5PREP
SCHEMBL6783140 0.80 FKBP1A (0.58) FKBP1AACEKLK7KLK5
SCHEMBL6787199 0.80 FKBP1A (0.58) FKBP1AACEKLK7KLK5

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-9782382-B2 TOFA analogs useful in treating dermatological disorders or conditions DERMIRA (CANADA), INC. (US) 2017-10-10 — — US disclosed
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