SCHEMBL28812693

SCHEMBL28812693

Oc1ccc(C(c2ccc(O)cc2)c2cccc3c2ccc2ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALPL P05186 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPI P09923 1/20 0.37
MAPT P10636 1/20 0.37
ALPG P10696 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL29368878 0.90 ALDH1A1 (0.51) TDP1ALDH1A1GAAKMT2ACYP1A2
SCHEMBL333444 0.90 ALDH1A1 (0.51) TDP1ALDH1A1GAAKMT2ACYP1A2
SCHEMBL10296824 0.83 TRPM4 (0.47) HPRT1TDP1ALDH1A1GAAKMT2A
SCHEMBL20808571 0.82 TDP1 (0.53) TDP1ALDH1A1GAAKMT2ACYP1A2
SCHEMBL7221176 0.78 AHR (0.49) TDP1ALDH1A1GAAKMT2APOLB
SCHEMBL10296825 0.78 ALDH1A1 (0.44) TDP1ALDH1A1GAAKMT2ATSHR
SCHEMBL30955032 0.78 HPRT1 (0.60) HPRT1TDP1ALDH1A1GAAKMT2A
SCHEMBL1758062 0.75 TDP1 (0.64) TDP1ALDH1A1GAAKMT2ATSHR
Phenanthrene SCHEMBL28179563 0.75 HSD17B10 (0.71) HPRT1TDP1ALDH1A1GAAKMT2A
SCHEMBL40516 0.74 ALDH1A1 (0.56) TDP1ALDH1A1CYP2A6TSHRHSD17B10

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-103833950-A Hard flame-retardant polyurethane foamed plastic UNIV XIAMEN 2014-06-04 CN claimed
CN-103833950-A Hard flame-retardant polyurethane foamed plastic UNIV XIAMEN 2014-06-04 CN disclosed