SCHEMBL6011986

SCHEMBL6011986

C[C@](Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.59
ESR2 Q92731 9/20 0.59
CYP3A4 P08684 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KIF11 P52732 2/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC6A2 P23975 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
LMNA P02545 1/20 0.45
TYR P14679 1/20 0.45
AR P10275 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR6 P50406 1/20 0.45
ESRRG P62508 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL29020575 1.00 ESR1 (0.59) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL237249 0.98 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL2417003 0.98 ESR1 (0.57) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL2416999 0.96 ESR1 (0.60) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL4313242 0.93 ESR1 (0.53) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL2953697 0.88 ESR1 (0.69) ESR1ESR2CYP3A4ALDH1A1SLC6A2
SCHEMBL10417846 0.88 TAAR1 (0.56) CYP3A4ALDH1A1KIF11CYP1A2CYP2C9
SCHEMBL14910579 0.88 TAAR1 (0.56) CYP3A4ALDH1A1KIF11CYP1A2CYP2C9
SCHEMBL4313236 0.87 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1KIF11
SCHEMBL17060504 0.87 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471092-B1 Binder for granulation molding of powder particles and granulated moldings RICOH KK (JP) 2006-10-25 EP disclosed
EP-1471092-A1 Binder for granulation molding of powder particles and granulated moldings Ricoh Company, Ltd. (JP) 2004-10-27 EP disclosed
US-20030236345-A1 Binder for granulation molding of powder particles and granulated moldings SHINKO FREX INC. (JP) 2003-12-25 US disclosed