SCHEMBL9274152

SCHEMBL9274152

OCC=Cc1ccccc1C=CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
NFE2L2 Q16236 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TRPA1 O75762 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CA2 P00918 2/20 0.33
NFKB1 P19838 2/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
PAM P19021 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
SCHEMBL9274151 1.00 PTPN1 (0.45) PTPN1ALDH1A1CYP3A4RECQLNFE2L2
SCHEMBL229461 0.85 TRPA1 (0.54) ALDH1A1CYP3A4RECQLNFE2L2LMNA
SCHEMBL13158791 0.85 TRPA1 (0.54) ALDH1A1CYP3A4RECQLNFE2L2LMNA
SCHEMBL4630799 0.85 TRPA1 (0.54) ALDH1A1CYP3A4RECQLNFE2L2LMNA
SCHEMBL30528037 0.85 TRPA1 (0.54) ALDH1A1CYP3A4RECQLNFE2L2LMNA
SCHEMBL24075882 0.84 PTPN1 (0.43) PTPN1ALDH1A1CYP3A4RECQLTSHR
SCHEMBL3533797 0.84 HDAC1 (0.47) ALDH1A1NFE2L2MEN1LMNAKMT2A
SCHEMBL4090323 0.84 NFE2L2 (0.62) NFE2L2NFKB1CYP1A2
SCHEMBL320615 0.84 NFE2L2 (0.62) NFE2L2NFKB1CYP1A2
SCHEMBL3815276 0.84 HSD11B1 (0.53) PTPN1ALDH1A1CYP3A4RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399676-A DNA sequence identification GILEAD SCIENCES (US) 1995-03-21 US claimed
US-5399676-A DNA sequence identification GILEAD SCIENCES (US) 1995-03-21 US disclosed
EP-0539371-A1 TRIPLE HELIX FORMATION IN OLIGONUCLEOTIDE THERAPY GILEAD SCIENCES, INC. (US) 1993-05-05 EP disclosed
WO-1991006626-A2 TRIPLE HELIX FORMATION IN OLIGONUCLEOTIDE THERAPY GILEAD SCIENCES, INC. (US) 1991-05-16 WO disclosed