SCHEMBL30879546

SCHEMBL30879546

CCCCC[C@@H]1CCC[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
LSS P48449 2/20 0.42
ALOX5 P09917 1/20 0.40
GBA1 P04062 4/20 0.39
GUSB P08236 1/20 0.38
EPHX1 P07099 1/20 0.38
CYP1A2 P05177 1/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
GLB1 P16278 3/20 0.36
GBA2 Q9HCG7 2/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL694436 1.00 CA1 (0.65) CA1CA2CA4LSSALOX5
SCHEMBL1391670 1.00 CA1 (0.65) CA1CA2CA4LSSALOX5
SCHEMBL669599 1.00 CA1 (0.65) CA1CA2CA4LSSALOX5
SCHEMBL16766705 0.98 CA1 (0.63) CA1CA2CA4LSSALOX5
SCHEMBL16766627 0.98 CA1 (0.63) CA1CA2CA4LSSALOX5
SCHEMBL23542639 0.98 CA1 (0.63) CA1CA2CA4LSSALOX5
SCHEMBL19338297 0.98 CA1 (0.63) CA1CA2CA4LSSALOX5
SCHEMBL8754572 0.96 CA1 (0.72) CA1CA2CA4LSSALOX5
SCHEMBL8754576 0.96 CA1 (0.72) CA1CA2CA4LSSALOX5
SCHEMBL5557539 0.96 CA1 (0.72) CA1CA2CA4LSSALOX5

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
EP-4338761-A1 PERFUMING COMPOSITIONS Firmenich SA (CH) 2024-03-20 EP disclosed