SCHEMBL9258699

SCHEMBL9258699

C[C@@H]1CCN(C(=O)C(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.44
LMNA P02545 2/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATM Q13315 1/20 0.40
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32
ACE P12821 3/20 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
SCHEMBL9258703 1.00 RIPK1 (0.44) RIPK1LMNACYP2C19HSD17B10ATM
SCHEMBL8544519 0.85 RIPK1 (0.40) RIPK1LMNACYP2C19HSD17B10
SCHEMBL8544522 0.85 RIPK1 (0.40) RIPK1LMNACYP2C19HSD17B10
SCHEMBL19075666 0.83 LMNA (0.53) RIPK1LMNACYP2C19HSD17B10ACE
SCHEMBL19075564 0.82 ATM (0.46) RIPK1LMNACYP2C19HSD17B10ATM
SCHEMBL19075572 0.82 ATM (0.46) RIPK1LMNACYP2C19HSD17B10ATM
SCHEMBL8539717 0.82 ATM (0.44) LMNACYP2C19HSD17B10ATMACE
SCHEMBL8539711 0.82 ATM (0.44) LMNACYP2C19HSD17B10ATMACE
SCHEMBL18701586 0.80 RIPK1 (0.44) RIPK1LMNAPRMT5WDR77
SCHEMBL14211002 0.79 HSD17B10 (0.50) LMNAHSD17B10ATM

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-5453430-A Anticoagulants SYNTHELABO (FR) 1995-09-26 US disclosed