SCHEMBL9846972

SCHEMBL9846972

CC1CC(C)(C)CC(c2ccc(Oc3ccccc3C(=O)O)cc2)(c2ccc(Oc3ccccc3C(=O)O)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.51
ESR2 Q92731 1/20 0.51
HTT P42858 2/20 0.41
CTNNB1 P35222 1/20 0.39
KDM4E B2RXH2 3/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 3/20 0.37
NR1I2 O75469 1/20 0.37
ABCB11 O95342 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL5613116 0.82 ESR1 (0.52) ESR1ESR2KDM4ELMNANR1I2
SCHEMBL30261482 0.82 ESR1 (0.52) ESR1ESR2KDM4ELMNANR1I2
SCHEMBL8993553 0.81 ESR1 (0.52) ESR1ESR2HTTKDM4EALDH1A1
SCHEMBL22003016 0.79 ESR1 (0.57) ESR1ESR2KDM4ELMNANR1I2
SCHEMBL16395145 0.79 ESR1 (0.57) ESR1ESR2KDM4ELMNANR1I2
SCHEMBL9846981 0.79 RXRA (0.44) ESR1ESR2
SCHEMBL9846995 0.79 ESR1 (0.50) ESR1ESR2SLC6A2SLC6A4KCNH2
SCHEMBL23969898 0.75 ESR1 (0.52) ESR1ESR2HTTMEN1KMT2A
SCHEMBL22003013 0.75 ESR1 (0.67) ESR1ESR2HTTKDM4ELMNA
SCHEMBL22003017 0.75 ESR1 (0.67) ESR1ESR2HTTKDM4ELMNA

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-0413233-A2 Copolyamides with higher glas transition temperature BAYER AG (DE) 1991-02-20 EP disclosed