SCHEMBL30237668

SCHEMBL30237668

O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](CO)OC(O)[C@@H]1O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.54
ITPR3 Q14573 6/20 0.50
ITPR2 Q14571 3/20 0.50
ITPR1 Q14643 3/20 0.50
INPP5A Q14642 1/20 0.50
INPPL1 O15357 1/20 0.50
AKT1 P31749 1/20 0.50

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
SCHEMBL4596697 0.93 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL7796118 0.93 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL5381912 0.93 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL5378658 0.93 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4595256 0.93 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4442196 0.91 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL4191662 0.91 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL7798872 0.91 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1INPP5A
SCHEMBL31076275 0.86 ADORA1 (0.43) SMPD1ITPR3ITPR2ITPR1
SCHEMBL31076318 0.86 ADORA1 (0.43) SMPD1ITPR3ITPR2ITPR1

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-11603394-B2 Targeted effector proteins and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-03-14 US disclosed