SCHEMBL21168636

SCHEMBL21168636

CSCCCOc1cc(C)c(C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
TP53 P04637 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
PDIA6 Q15084 1/20 0.35
ALOX15 P16050 1/20 0.34
GAA P10253 2/20 0.33

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
SCHEMBL21168648 0.90 GPR84 (0.41) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL204295 0.85 ALDH1A1 (0.41) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL3936080 0.81 RAB9A (0.62) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL205849 0.80 MEN1 (0.40) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL13638790 0.77 NPC1 (0.47) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL14186840 0.75 TP53 (0.51) GPR84TP53MAPK1TSHRCYP1A2
SCHEMBL12925858 0.74 GPR84 (0.44) KMT2AMEN1GPR84TP53MAPK1
SCHEMBL15298486 0.73 PLA2G2A (0.53) TP53MAPK1TSHR
SCHEMBL8251597 0.72 GPR84 (0.42) GPR84TP53MAPK1TSHRCYP1A2
SCHEMBL17693528 0.72 GPR84 (0.40) SMN1; SMN2GPR84TP53MAPK1TSHR

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
EP-3331860-B1 INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2019-07-17 EP disclosed