SCHEMBL7586516

SCHEMBL7586516

CCCCCCCCCNn1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 3/20 0.58
CYP4Z1 Q86W10 5/20 0.57
LMNA P02545 2/20 0.46
S1PR2 O95136 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC9A1 P19634 3/20 0.43
TLR8 Q9NR97 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7105937 0.98 ASAH1 (0.56) ASAH1CYP4Z1LMNAS1PR2SMN1; SMN2
Decane SCHEMBL9491454 0.76 ASAH1 (0.54) ASAH1CYP4Z1LMNASMN1; SMN2NPSR1
SCHEMBL5407957 0.74 LMNA (0.63) ASAH1LMNASMN1; SMN2NPSR1ALOX15
SCHEMBL3715374 0.73 ASAH1 (0.46) ASAH1CYP4Z1
SCHEMBL11408718 0.73 TDP1 (0.68) LMNASMN1; SMN2SLC9A1TDP1ALOX15
SCHEMBL9038701 0.73 TDP1 (0.68) LMNASMN1; SMN2SLC9A1TDP1ALOX15
SCHEMBL3868979 0.73 TDP1 (0.68) LMNASMN1; SMN2SLC9A1TDP1ALOX15
SCHEMBL4888041 0.73 TDP1 (0.68) LMNASMN1; SMN2SLC9A1TDP1ALOX15
SCHEMBL6321085 0.73 TDP1 (0.68) LMNASMN1; SMN2SLC9A1TDP1ALOX15
SCHEMBL16097150 0.73 TDP1 (0.68) LMNASMN1; SMN2SLC9A1TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002074085-A1 NEORUSTMICIN A-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed
EP-1083790-A1 RETARDING FORMULATIONS OF ACTIVE SUBSTANCES USED FOR PLANT PROTECTION BASF AKTIENGESELLSCHAFT (DE) 2001-03-21 EP disclosed
WO-1999056540-A1 RETARDING FORMULATIONS OF ACTIVE SUBSTANCES USED FOR PLANT PROTECTION BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed