SCHEMBL8977523

SCHEMBL8977523

CN(CCCO)c1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.42
SIGMAR1 Q99720 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MMP2 P08253 3/20 0.35
MMP3 P08254 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
CYP11B2 P19099 2/20 0.35
PGR P06401 1/20 0.34
KDM1A O60341 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL8977534 0.79 MMP3 (0.43) MMP2MMP3ALDH1A1HPGDHRH3
SCHEMBL8977546 0.79 STAT3 (0.43) STAT3SIGMAR1LTB4R2MMP2MMP3
SCHEMBL31463164 0.70 TSHR (0.57) MMP3ALDH1A1ESR2CYP11B2TSHR
SCHEMBL1723682 0.70 ALDH1A1 (0.42) SIGMAR1ALDH1A1TSHRHSD17B10
SCHEMBL31243237 0.70 ALDH1A1 (0.42) SIGMAR1ALDH1A1TSHRHSD17B10
SCHEMBL31243236 0.70 ALDH1A1 (0.42) SIGMAR1ALDH1A1TSHRHSD17B10
SCHEMBL16633470 0.69 KCNN4 (0.43)
SCHEMBL16117779 0.68 CYP3A4 (0.38) ALDH1A1TSHR
SCHEMBL23624676 0.68 ENPP2 (0.48) STAT3MMP3ALDH1A1ESR2CYP11B2
SCHEMBL8977550 0.68 MERTK (0.45) STAT3MMP3ALDH1A1HPGDTSHR

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-0463931-B1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON CSF (FR) 1996-04-24 EP claimed