SCHEMBL28512805

SCHEMBL28512805

c1ccc(C2=C(c3ccccc3)C(c3ccccc3)CCCCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CFTR P13569 1/20 0.34
GOPC Q9HD26 1/20 0.34
SLC18A3 Q16572 1/20 0.34
POLB P06746 1/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL28835484 0.98 IGF1R (0.38) IGF1RALOX15NOS1NOS2SLC6A2
SCHEMBL14653402 0.75 IGF1R (0.50) IGF1RALOX15SLC6A2SLC6A4SLC6A3
SCHEMBL170541 0.74 IGF1R (0.41) IGF1RALOX15NOS1NOS2HRH4
SCHEMBL28220437 0.74 CFTR (0.44) CFTRGOPCSLC18A3ALDH1A1GAA
SCHEMBL8705170 0.72 PTGS2 (0.52) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL30144760 0.72 PTGS2 (0.52) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL30877921 0.72 PTGS2 (0.52) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL8705175 0.72 PTGS2 (0.52) SLC6A2SLC6A4SLC6A3CFTRGOPC
SCHEMBL4063122 0.71 SLC18A3 (0.50) IGF1RALOX15NOS1NOS2DDB1
SCHEMBL31059233 0.71 FGF23 (0.37) SLC6A3HRH3CFTRGOPCFGF23

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
CN-112424260-A Photochromic compound and curable composition containing same 株式会社德山 2021-02-26 CN disclosed