SCHEMBL9065627

SCHEMBL9065627

Oc1c(Cl)cc(C2(c3cc(Cl)c(O)c(Cl)c3)CCC(c3ccccc3)CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.42
SPR P35270 2/20 0.40
SLC18A3 Q16572 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT5 Q9NXA8 1/20 0.38
TRPA1 O75762 1/20 0.37
ESR2 Q92731 3/20 0.37
LIPG Q9Y5X9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL9065646 0.90 ACHE (0.44) HSD11B1SPRSLC18A3TRPA1ESR2
SCHEMBL9075391 0.83 ACHE (0.53) HSD11B1SLC18A3SIGMAR1SIRT1TRPA1
SCHEMBL9066456 0.83 CRHBP (0.41) HSD11B1SPRSLC18A3SIGMAR1SIRT1
SCHEMBL9067006 0.80 ACHE (0.39) ESR2MEN1KMT2AGAASMN1; SMN2
SCHEMBL2045808 0.78 ESR2 (0.52) HSD11B1SLC18A3SIGMAR1TRPA1ESR2
SCHEMBL9803683 0.77 CYP2C9 (0.33)
SCHEMBL3817418 0.75 ESR2 (0.48) ESR2MEN1KMT2ANPC1RAB9A
SCHEMBL9066299 0.74 ESR2 (0.59) HSD11B1SLC18A3SIGMAR1SIRT1TRPA1
SCHEMBL9066563 0.73 TSHR (0.41) ESR2MEN1KMT2AGAAMAPT
SCHEMBL4245311 0.73 ACHE (0.55) ESR2MEN1KMT2AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469403-B1 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-B1 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
US-5034457-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-5010163-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0374630-A2 Polycarbonates from cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed