SCHEMBL7956394

SCHEMBL7956394

CCc1ccc(-c2ccc(C3OC(=O)C(O)=C3O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
ALDH1A1 P00352 5/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
QPCT Q16769 1/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
NOTUM Q6P988 1/20 0.35
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 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
SCHEMBL6931344 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ACDK1
SCHEMBL6930001 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2ACDK1
SCHEMBL6026587 0.81 ALDH1A1 (0.43) EGFRALDH1A1LMNASMN1; SMN2CA1
SCHEMBL7030920 0.80 ALDH1A1 (0.43) ALDH1A1LMNACDK1CCNB1GSK3A
SCHEMBL6933633 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMEN1KMT2ACDK1
SCHEMBL9015283 0.79 LMNA (0.43) ALDH1A1LMNACDK1CCNB1GSK3A
SCHEMBL8993559 0.79 LMNA (0.43) ALDH1A1LMNACDK1CCNB1GSK3A
SCHEMBL6025954 0.78 ALDH1A1 (0.46) EGFRALDH1A1LMNAMEN1KMT2A
SCHEMBL7591786 0.75 AHR (0.41) ALDH1A1LMNAMEN1KMT2ACDK1
SCHEMBL6933173 0.75 AHR (0.41) ALDH1A1LMNAMEN1KMT2ACDK1

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
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 US disclosed