SCHEMBL21942540

SCHEMBL21942540

CC1(C)CB(c2ccc3sc4ccccc4c3c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.38
PTGIR P43119 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
MMP12 P39900 2/20 0.32
MMP13 P45452 2/20 0.32
CYP1A2 P05177 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL19544229 0.92 ALDH1A1 (0.40) GPR3MAPTALDH1A1RAB9AKDM4E
SCHEMBL21941579 0.85 LPL (0.33)
SCHEMBL29997770 0.79 LPL (0.47) GPR3MAPTALDH1A1RAB9APTPN7
SCHEMBL5019922 0.79 LPL (0.47) GPR3MAPTALDH1A1RAB9APTPN7
SCHEMBL20663069 0.76 MAPT (0.36) GPR3MAPTALDH1A1RAB9AKDM4E
SCHEMBL17638034 0.76 GPR3 (0.34) GPR3MAPTDUSP3TDP1POLB
SCHEMBL19546794 0.76 GPR3 (0.34) GPR3MAPT
SCHEMBL21433572 0.74 PARP1 (0.47) GPR3ALDH1A1KDM4ECYP1A2
SCHEMBL18607868 0.73 LPL (0.36) MAPTALDH1A1KDM4EHPGDTDP1
SCHEMBL21364239 0.72 LPL (0.40)

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
WO-2020085793-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2020-04-30 WO disclosed