SCHEMBL5657856

SCHEMBL5657856

[c]1ccccc1-c1ccc2c(c1)CCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
ADCY8 P40145 1/20 0.35
ADCY1 Q08828 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
SCHEMBL8072407 0.96 CYP11B1 (0.40) CYP11B1CYP11B2TSHRSMN1; SMN2NPC1
SCHEMBL17610579 0.78 NOTUM (0.48) SMN1; SMN2RAB9AMAPT
SCHEMBL27864869 0.77 KIF11 (0.34) MAPTALDH1A1KIF11
SCHEMBL28592057 0.76 MAPT (0.47) TSHRSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3149937 0.73 PRKAB2 (0.36) SMN1; SMN2RAB9AMAPT
SCHEMBL3141306 0.73 DYRK1A (0.48) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL28663639 0.73 CYP11B1 (0.61) CYP11B1CYP11B2TSHRSMN1; SMN2NPC1
SCHEMBL9845507 0.72 CYP11B1 (0.61) CYP11B1CYP11B2TSHRSMN1; SMN2NPC1
SCHEMBL2794744 0.72 HTR2A (0.37) CYP11B1CYP11B2SMN1; SMN2NPC1RAB9A
SCHEMBL8077911 0.72 NPC1 (0.36) CYP11B1CYP11B2SMN1; SMN2NPC1RAB9A

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
US-7179825-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-20 US claimed