SCHEMBL19442941

SCHEMBL19442941

COP(=O)(OC)OC[C@H](NC(=O)OC(C)(C)C)[C@H](O)[C@@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA7 P43166 2/20 0.46
▸ CYP2D6 P10635 1/20 0.39
▸ CTSK P43235 9/20 0.36
▸ KLK5 Q9Y337 2/20 0.35
▸ CTSS P25774 4/20 0.35
▸ CA4 P22748 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33

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
SCHEMBL19442981 0.82 CTSS (0.40) CA1CA2CA7CYP2D6CTSK
SCHEMBL20830129 0.82 CA1 (0.40) CA1CA2CA7CYP2D6CTSK
SCHEMBL17522133 0.81 PLA2G4A (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL15948853 0.76 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL16300646 0.76 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL15941659 0.74 PLA2G4A (0.60) CYP2D6
SCHEMBL16316497 0.74 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL14923494 0.73 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL18138345 0.73 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL21132793 0.71 PLA2G2A (0.50) CA1CA2CA9

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-9783562-B2 Phytosphingosine-1-phosphate derivative, preparation method therefor, and composition for preventing and treating hair loss or for growing hair comprising same PHYTOS CO., LTD (KR) 2017-10-10 — — US disclosed
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