SCHEMBL8992737

SCHEMBL8992737

CC(C)(c1ccc(-c2cccc(O)c2Cl)cc1)c1ccc(-c2cccc(O)c2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.46
CNR2 P34972 5/20 0.46
ESR1 P03372 4/20 0.43
ESR2 Q92731 3/20 0.43
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
HPGD P15428 2/20 0.42
AR P10275 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 1/20 0.42
ESRRG P62508 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KLF10 Q13118 1/20 0.37
BCL2L1 Q07817 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 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
SCHEMBL344516 0.81 ALDH1A1 (0.58) CNR1CNR2ESR1ESR2HSD17B10
SCHEMBL2416998 0.81 ALDH1A1 (0.58) CNR1CNR2ESR1ESR2HSD17B10
SCHEMBL11067075 0.78 ALDH1A1 (0.59) CNR1CNR2ESR1ESR2HSD17B10
SCHEMBL4313235 0.77 ESR1 (0.59) CNR1CNR2ESR1ESR2HSD17B10
SCHEMBL7259496 0.77 ALDH1A1 (0.62) ESR2HSD17B10TSHRHPGDALDH1A1
SCHEMBL20539104 0.73 TSHR (0.62) HSD17B10CYP3A4TSHRHPGDAR
SCHEMBL30617438 0.73 TSHR (0.62) HSD17B10CYP3A4TSHRHPGDAR
Bisphenol A SCHEMBL28112121 0.71 ESR2 (0.59) CNR1CNR2ESR1ESR2HSD17B10
SCHEMBL20503650 0.70 CYP2A6 (0.65) ESR2HSD17B10TSHRHPGDALDH1A1
SCHEMBL31544740 0.70 CYP2A6 (0.43) CNR1ALDH1A1KMT2AMEN1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582202-B1 Thermosensitive recording materials with polymer-coated additive to assist development BASF AG (DE) 1996-12-11 EP disclosed
EP-0499045-B1 Colour-former preparations BASF AG (DE) 1996-07-31 EP disclosed
EP-0582202-A2 Thermosensitive recording materials with polymer-coated additive to assist development BASF Aktiengesellschaft (DE) 1994-02-09 EP disclosed
EP-0499045-A1 Colour-former preparations BASF Aktiengesellschaft (DE) 1992-08-19 EP disclosed