SCHEMBL27745836

SCHEMBL27745836

[CH]1C(c2ccccc2)=CC=C1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 3/20 0.36
BCL2L1 Q07817 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.36
MMP3 P08254 1/20 0.36
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.33

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
SCHEMBL26118035 0.71 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1MAPK1HSD17B10
Biphenyl SCHEMBL29008551 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL1358618 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL29560186 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL2548048 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL28890607 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL30629023 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL30108088 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL4002609 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1
Biphenyl SCHEMBL164 0.69 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1SMN1; SMN2MAPK1

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-101341176-A Ethylene polymer, catalyst for producing ethylene polymer, and method for producing ethylene polymer TOSOH CORP (JP) 2009-01-07 CN disclosed