SCHEMBL21469853

SCHEMBL21469853

c1ccc(CCP(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
IDO1 P14902 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL11074250 0.79 KCNA3 (0.44) DRD2DRD4DRD3ALDH1A1ALOX15
SCHEMBL24159349 0.77 KMT2A (0.42) DRD2DRD4DRD3ALDH1A1KMT2A
SCHEMBL4456043 0.76 LTA4H (0.41)
SCHEMBL29326171 0.74 TSHR (0.46) DRD2ALDH1A1HPGDALOX15ALOX12
SCHEMBL8902684 0.74 LTA4H (0.43) DRD2DRD4DRD3ALDH1A1ALOX15
SCHEMBL4451586 0.72 LTA4H (0.47) DRD2DRD3ALDH1A1HTR2ASMN1; SMN2
SCHEMBL29079501 0.72 TAAR1 (0.43) HTR2ATAAR1MAOA
SCHEMBL685511 0.72 ALDH1A1 (0.43) DRD2DRD4DRD3ALDH1A1HPGD
SCHEMBL10669039 0.72 TP53 (0.41) DRD3ALDH1A1HPGDALOX15ALOX12
SCHEMBL20445675 0.71 MAOA (0.48) NPC1RAB9AMAOAMAOB

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-2019198677-A1 PHOSPHORUS-CONTAINING THERMOPLASTIC RESIN, FLAME-RETARDANT RESIN COMPOSITION AND MOLDED ARTICLE 帝人株式会社 2019-10-17 WO disclosed