Sugi Predict

Sugi Predict / Compounds / SCHEMBL18258653

SCHEMBL18258653

SCHEMBL18258653

CCCCCCN(C(=O)NCC)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.45
▸ EPHX1 P07099 11/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL13911238 0.87 ADH1A (0.43) NAAAEPHX1MEN1KMT2A
SCHEMBL27574205 0.86 NAAA (0.43) NAAAEPHX1EPHX2THRATHRB
SCHEMBL22023395 0.84 NAAA (0.46) NAAAEPHX1EPHX2THRATHRB
SCHEMBL27510927 0.84 EPHX1 (0.52) EPHX1EPHX2
SCHEMBL9351634 0.82 EPHX1 (0.51) EPHX1EPHX2
SCHEMBL9632611 0.81 THRA (0.43) NAAAEPHX1EPHX2THRATHRB
SCHEMBL5484262 0.81 NAAA (0.46) NAAAEPHX1EPHX2THRATHRB
SCHEMBL9632418 0.81 THRA (0.43) NAAAEPHX1EPHX2THRATHRB
SCHEMBL966598 0.80 L3MBTL1 (0.45) EPHX1MEN1KMT2A
SCHEMBL22574003 0.80 EPHX1 (0.38) EPHX1EPHX2MEN1KMT2A

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
EP-3097905-B1 COSMETIC COMPOSITIONS SYMRISE AG (DE) 2020-11-04 — — EP disclosed
EP-3097905-A1 COSMETIC COMPOSITIONS Symrise AG (DE) 2016-11-30 — — EP disclosed