SCHEMBL9484357

SCHEMBL9484357

O=C1CC(C2CCCCC(=O)N2)C(=O)N1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.35
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
PARP1 P09874 1/20 0.33
CRBN Q96SW2 1/20 0.32
SRD5A1 P18405 1/20 0.32

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
SCHEMBL1672296 0.76 ALDH1A1 (0.44) LMNATSHRPARP1CRBNSRD5A1
SCHEMBL10655463 0.74 ALDH1A1 (0.42) LMNATSHRPARP1CRBNSRD5A1
SCHEMBL18643159 0.72 MAP3K14 (0.48) MAP3K14CRBN
SCHEMBL17338063 0.72 ALDH1A1 (0.36) LMNATSHRPARP1CRBNSRD5A1
SCHEMBL7263026 0.71 ALDH1A1 (0.42) LMNATSHRPARP1CRBNSRD5A1
SCHEMBL11719476 0.71 MAP3K14 (0.46) MAP3K14CRBN
SCHEMBL6652266 0.71 KMT2A (0.35) LMNATSHRPARP1CRBN
SCHEMBL5909391 0.71 MAP3K14 (0.55) MAP3K14LMNATSHRCRBN
SCHEMBL24490044 0.70 MAP3K14 (0.44) MAP3K14LMNACRBN
SCHEMBL18653590 0.69 CA1 (0.35) LMNATSHRPARP1SRD5A1

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-5233003-A Process for the preparation of gel-free self-crosslinking copolymers derived from blocked isopropenyl-alpha, alpha-dimethylbenzyl isocyanate AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed