SCHEMBL10836752

SCHEMBL10836752

CCCCCS(=O)(=O)N(Br)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.46
CA2 P00918 6/20 0.41
CES1 P23141 5/20 0.38
NPC1 O15118 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR4 O95977 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
S1PR1 P21453 1/20 0.34
MAPK1 P28482 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL10838225 0.98 FAAH (0.50) FAAHCA2CES1CES2
SCHEMBL11008369 0.92 NPC1 (0.41) FAAHCA2CES1NPC1S1PR2
SCHEMBL10836656 0.81
SCHEMBL10838853 0.78
SCHEMBL11133468 0.77 CA2 (0.48) FAAHCA2TP53
SCHEMBL3999902 0.77 FAAH (0.48) FAAHCA2CES1NPC1S1PR2
SCHEMBL28587125 0.77 FAAH (0.48) FAAHCA2CES1NPC1S1PR2
SCHEMBL17109068 0.75 FAAH (0.52) FAAHCA2CES1CES2
SCHEMBL14892312 0.75 FAAH (0.52) FAAHCA2CES1CES2
SCHEMBL19776015 0.75 FAAH (0.52) FAAHCA2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4591618-A HIGH STRENGTH BONDING AGENTS BRIDGESTONE TIRE CO., LTD. (JP) 1986-05-27 US disclosed
US-4535003-A WITH HALOGEN RELEASING HALOGENOID, WAX AND FILLER BRIDGESTONE TIRE CO., LTD. (JP) 1985-08-13 US disclosed
US-4500685-A MIXTURES OF HALOSULFONAMIDE AND WAX BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-02-19 US disclosed
US-4117036-A ANAEROBIC CURABILITY, SEALANTS BRIDGESTONE TIRE COMPANY LIMITED (JP) 1978-09-26 US disclosed