SCHEMBL27868063

SCHEMBL27868063

CCNc1cc(Cl)cc(NCC)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
CYP3A4 P08684 2/20 0.44
RECQL P46063 2/20 0.44
PGK1 P00558 2/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
IDO1 P14902 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GAA P10253 4/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
THRB P10828 1/20 0.34
GFER P55789 1/20 0.34
PLEC Q15149 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 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
SCHEMBL14113095 0.88 TSHR (0.47) TSHRCYP3A4RECQLPGK1ALDH1A1
SCHEMBL27851120 0.77 RECQL (0.44) TSHRCYP3A4RECQLPGK1ALDH1A1
SCHEMBL3789681 0.73 SMN1; SMN2 (0.44) TSHRCYP3A4RECQLALDH1A1IDO1
SCHEMBL27900428 0.72 CYP3A4 (0.40) TSHRCYP3A4RECQLALDH1A1IDO1
SCHEMBL27857255 0.72 LMNA (0.41) TSHRCYP3A4RECQLALDH1A1IDO1
SCHEMBL7201523 0.71 HSD17B10 (0.54) TSHRCYP3A4RECQLALDH1A1HSD17B10
SCHEMBL3398998 0.71 MEN1 (0.50) TSHRIDO1GAAHTTLMNA
SCHEMBL9750778 0.70 CYP3A4 (0.50) TSHRCYP3A4RECQLPGK1ALDH1A1
SCHEMBL12895731 0.70 ALDH1A1 (0.40) TSHRCYP3A4RECQLALDH1A1GAA
Hydrochloric Acid SCHEMBL6518247 0.70 MEN1 (0.48) TSHRIDO1GAAHTTLMNA

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
CN-101942087-B Metal ion-hyperbranched polyamidoamine complex catalyst and application thereof in preparation of polyphenyl ether in aqueous medium UNIV ZHEJIANG 2012-05-09 CN disclosed