SCHEMBL5738249

SCHEMBL5738249

CN(C)CCOc1ccc(/C(=C(\CCCl)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.81
LMNA P02545 2/20 0.81
ESRRG P62508 13/20 0.74
ESR1 P03372 12/20 0.74
ESR2 Q92731 5/20 0.63
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
TP53 P04637 2/20 0.59
PGR P06401 2/20 0.59
CYP3A4 P08684 2/20 0.59
KMT2A Q03164 2/20 0.59
ESRRA P11474 2/20 0.59
NPC1 O15118 1/20 0.59
NR1I2 O75469 1/20 0.59
PRKD3 O94806 1/20 0.59
ABCB11 O95342 1/20 0.59
EGFR P00533 1/20 0.59
GBA1 P04062 1/20 0.59
NR3C1 P04150 1/20 0.59
ERBB2 P04626 1/20 0.59

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
SCHEMBL5738252 1.00 HTR6 (0.81) HTR6LMNAESRRGESR1ESR2
SCHEMBL5738255 1.00 HTR6 (0.81) HTR6LMNAESRRGESR1ESR2
SCHEMBL5739474 0.95 HTR6 (0.91) HTR6LMNAESRRGESR1ESR2
SCHEMBL5737155 0.95 HTR6 (0.91) HTR6LMNAESRRGESR1ESR2
SCHEMBL5738332 0.95 HTR6 (0.74) HTR6LMNAESRRGESR1ESR2
SCHEMBL5736463 0.95 HTR6 (0.91) HTR6LMNAESRRGESR1ESR2
SCHEMBL5736471 0.95 HTR6 (0.91) HTR6LMNAESRRGESR1ESR2
SCHEMBL5738558 0.95 HTR6 (0.74) HTR6LMNAESRRGESR1ESR2
SCHEMBL5738338 0.95 HTR6 (0.74) HTR6LMNAESRRGESR1ESR2
SCHEMBL5739418 0.95 HTR6 (0.91) HTR6LMNAESRRGESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1705169-A2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators Hormos Medical Ltd. (FI) 2006-09-27 EP disclosed
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 US disclosed