SCHEMBL27430336

SCHEMBL27430336

CCCCCCCCCCCCCCOC(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LTA4H P09960 1/20 0.44
DNM1 Q05193 1/20 0.44
LMNA P02545 2/20 0.43
HTR2A P28223 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
UGCG Q16739 4/20 0.41
GBA2 Q9HCG7 4/20 0.41
GBA1 P04062 3/20 0.41
LCT P09848 3/20 0.41
MGAM O43451 2/20 0.41
SI P14410 2/20 0.41

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
SCHEMBL27519838 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LTA4HDNM1
SCHEMBL11213967 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LTA4HDNM1
SCHEMBL10462978 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LTA4HDNM1
SCHEMBL27802551 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LTA4HDNM1
SCHEMBL10441857 1.00 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LTA4HDNM1
SCHEMBL9774356 0.98 LTA4H (0.46) NPC1RAB9ASMN1; SMN2LTA4HDNM1
Water SCHEMBL27837593 0.96 LTA4H (0.44) NPC1RAB9ASMN1; SMN2LTA4HDNM1
SCHEMBL14314047 0.92 LTA4H (0.46) LTA4HLMNAHTR2ATSHRALDH1A1
SCHEMBL159324 0.92 LTA4H (0.46) LTA4HLMNAHTR2ATSHRALDH1A1
SCHEMBL11054692 0.89 LTA4H (0.43) NPC1RAB9ASMN1; SMN2LTA4HLMNA

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
CN-1088930-A Stable organotin compound and its production and application TAI AN GENERAL FINE CHEMICAL P (CN) 1994-07-06 CN disclosed