SCHEMBL27744901

SCHEMBL27744901

CCCCC1=Cc2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
CDC25A P30304 1/20 0.43
CDC25B P30305 1/20 0.43
ALDH1A1 P00352 3/20 0.41
APAF1 O14727 1/20 0.41
SOAT1 P35610 10/20 0.41
S100A4 P26447 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38

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
SCHEMBL27942033 0.95 PTPN1 (0.51) PTPN1CDC25ACDC25BALDH1A1APAF1
SCHEMBL27953080 0.90 PTPN1 (0.58) PTPN1CDC25ACDC25BSOAT1NR1H2
SCHEMBL18456446 0.89 CDC25B (0.46) PTPN1CDC25ACDC25BALDH1A1APAF1
SCHEMBL28308758 0.88 PTPN1 (0.60) PTPN1CDC25ACDC25BSOAT1NR1H2
SCHEMBL10608915 0.85 PTPN1 (0.50) PTPN1ALDH1A1APAF1SOAT1S100A4
SCHEMBL27942011 0.84 CDC25B (0.49) PTPN1CDC25ACDC25BALDH1A1APAF1
SCHEMBL27715900 0.82 PTPN1 (0.66) PTPN1CDC25ACDC25BALDH1A1APAF1
Ammonia Solution, Strong SCHEMBL28565537 0.81 PTPN1 (0.64) PTPN1CDC25ACDC25BALDH1A1APAF1
SCHEMBL2871078 0.80 CNR1 (0.43) PTPN1ALDH1A1APAF1SOAT1S100A4
SCHEMBL10604576 0.79 PTPN1 (0.57) PTPN1SOAT1NR1H2NR1H3ALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN disclosed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN disclosed