SCHEMBL7965192

SCHEMBL7965192

Cc1ccc(-c2ccc(C3(C)OC(=O)C(O)=C3O)cc2C)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
PPM1G O15355 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN7 P35236 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPRO Q16827 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
GAA P10253 2/20 0.32

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
SCHEMBL6027883 0.82 KDM4E (0.34) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7972438 0.77 ESR2 (0.42) ESR1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6026165 0.74 HSD17B1 (0.38) ESR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6026481 0.69 MCL1 (0.41) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL7971494 0.69 ALDH1A1 (0.33) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6926535 0.68 HCAR2 (0.49) KDM4EMEN1KMT2ACYP1A2CYP2C9
SCHEMBL6026628 0.68 MEN1 (0.37) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL6026477 0.68 CHRNA1 (0.39) KDM4EALDH1A1KMT2ABRD4CYP1A2
SCHEMBL7984729 0.68 CHRNA1 (0.39) KDM4EALDH1A1KMT2ABRD4CYP1A2
SCHEMBL6027636 0.67 ALDH1A1 (0.36) ESR1KDM4EALDH1A1SMN1; SMN2MEN1

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