SCHEMBL28784657

SCHEMBL28784657

Cc1cc(C)c(OP(=O)(O)Oc2ccc(C=O)cc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.54
ALDH1A1 P00352 3/20 0.40
CYP2A6 P11509 2/20 0.40
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A3 P47895 1/20 0.37
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
DRD1 P21728 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 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
SCHEMBL10888022 0.81 SRC (0.48) SRCALDH1A1KMT2A
SCHEMBL29742222 0.80 SRC (0.50) SRCALDH1A1CYP3A4TSHRKMT2A
SCHEMBL2848321 0.76 ALDH1A1 (0.48) SRCALDH1A1CYP2A6ALDH1A3TSHR
SCHEMBL3842119 0.74 CES2 (0.46) SRCALDH1A1CES2CES1CYP3A4
SCHEMBL295544 0.73 TSHR (0.50) SRCCES2CES1CYP3A4TSHR
SCHEMBL27682839 0.72 ALDH1A1 (0.39) SRCALDH1A1CYP2A6ALDH1A3CYP3A4
SCHEMBL10983224 0.72 HPGD (0.43) SRCALDH1A1KDM4EKMT2A
SCHEMBL3514847 0.71 SRC (0.61) SRCALDH1A1CYP2A6ALDH1A3DRD1
SCHEMBL29023594 0.71 SRC (0.50) SRCALDH1A1CYP3A4TSHRKMT2A
SCHEMBL157866 0.71 TSHR (0.67) SRCCES2CES1CYP3A4TSHR

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-101872115-A Methods and processes for modifying polymer material surface interactions OBDUCAT AB 2010-10-27 CN disclosed
CN-101799626-A Process and method for modifying polymer film surface interaction OBDUCAT AB 2010-08-11 CN disclosed