SCHEMBL7951322

SCHEMBL7951322

CCCCc1ccc(OP(O)F)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.39
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
SKP2 Q13309 1/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 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
SCHEMBL28366599 0.89 NPC1 (0.38) S1PR1NPC1HPGDRAB9ASKP2
SCHEMBL28875936 0.89 NPC1 (0.38) S1PR1NPC1HPGDRAB9ASKP2
SCHEMBL9356293 0.86 S1PR1 (0.42) S1PR1PPARGPPARA
SCHEMBL29813604 0.85 SKP2 (0.39) S1PR1NPC1HPGDRAB9ASKP2
SCHEMBL7949604 0.85 HSPA5 (0.38)
SCHEMBL28058768 0.81 HTT (0.43) NPC1HPGDRAB9ASKP2MAPK1
SCHEMBL9862552 0.80 PPARG (0.42) S1PR1PPARGPPARA
SCHEMBL18951294 0.77 APEX1 (0.34) S1PR1SKP2
SCHEMBL7950342 0.77 HTT (0.48) NPC1MAPK1HTTNPSR1PPARG
SCHEMBL7949239 0.76 HTT (0.47) NPC1MAPK1HTTNPSR1PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6231804-B1 USED FOR HOLLOW CONTAINERS, A FILM, A SHEET, A PIPE, FIBER AND MOLDING;A BLEND OF HIGH MOLECULAR WEIGHT POLYETHYLENE COPOLYMER,AN OLEFIN HOMO OR COPLYMER CHISSO CORPORATION (JP) 2001-05-15 US disclosed
EP-0972800-A1 MODIFIED OLEFIN (CO)POLYMER COMPOSITION, PROCESS FOR PREPARING THE SAME, AND MODIFIED OLEFIN (CO)POLYMER COMPOSITION MOLDING CHISSO CORPORATION (JP) 2000-01-19 EP disclosed