SCHEMBL20468321

SCHEMBL20468321

NC1CCC(C2CCC(C3CCCC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL8692979 1.00 ALDH1A1 (0.57) ALDH1A1THRBMEN1KMT2A
SCHEMBL21349634 1.00 ALDH1A1 (0.57) ALDH1A1THRBMEN1KMT2A
SCHEMBL4088388 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL23561000 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL23352964 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL23221351 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL13007137 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL18900975 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL8840602 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A
SCHEMBL69669 0.97 ALDH1A1 (0.53) ALDH1A1THRBMEN1KMT2A

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
US-20210040178-A1 Single-Chain Trail-Receptor Agonist Proteins ABBVIE INC. 2021-02-11 US disclosed
US-20180222962-A1 Single-Chain Trail-Receptor Agonist Proteins ABBVIE INC (US) 2018-08-09 US disclosed