SCHEMBL7923398

SCHEMBL7923398

CC(C)(C)c1ccccc1[C]1C=Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
PTPRC P08575 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL2972104 0.80 HSD11B1 (0.46) ALDH1A1LMNAMEN1KMT2AHSD17B10
SCHEMBL5921807 0.75 LMNA (0.50) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL1194484 0.75 ALDH1A1 (0.55) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL216367 0.74 ALDH1A1 (0.41) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL545684 0.73 ALDH1A1 (0.52) ALDH1A1TSHRTDP1MEN1KMT2A
Phosphine SCHEMBL2238711 0.73 ALDH1A1 (0.52) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL11020611 0.71 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPTALOX15
SCHEMBL216974 0.71 HSD11B1 (0.49) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL20034068 0.70 GABRA1 (0.50) ALDH1A1TSHRTDP1IDO1HPGD
SCHEMBL1030000 0.70 LMNA (0.41) ALDH1A1TSHRTDP1LMNAMEN1

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
EP-0791607-B1 Substituted metallocene catalyst for the (co)polymerization of olefins ENICHEM SPA (IT) 2001-05-02 EP disclosed