SCHEMBL8784697

SCHEMBL8784697

Cc1cccc(C(C)(c2cccc(C)c2)c2cccc(C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.55
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
KIF11 P52732 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 1/20 0.41
IDO1 P14902 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40

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
SCHEMBL16545629 0.85 ESR1 (0.64) ACHEESR1ESR2CYP3A4CYP2C19
SCHEMBL348758 0.84 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL10409637 0.84 ACHE (0.55) ACHEESR1ESR2KIF11CYP3A4
SCHEMBL29714909 0.84 ACHE (0.55) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL15201909 0.82 ACHE (0.52) ACHEKIF11CYP3A4CYP2D6CYP2C9
Water SCHEMBL27710899 0.82 ACHE (0.52) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL24406055 0.80 ACHE (0.50) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL18891585 0.80 ACHE (0.50) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL7694753 0.80 ACHE (0.50) ACHEKIF11CYP3A4CYP2D6CYP2C9
SCHEMBL18378184 0.80 ACHE (0.50) ACHEKIF11CYP3A4CYP2D6CYP2C9

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-0703498-B1 Photosensitive resin composition and method for forming a photoresist pattern MITSUBISHI CHEM CORP (JP) 1997-12-29 EP disclosed
US-5698362-A CONTAINING A TRIARYLMETHANE DERIVATIVE; HIGH RESOLUTION, EXCELLENT IN DEPTH OF FOCUS AND PATTERN PROFILE, STORAGE STABLE MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-16 US disclosed
EP-0703498-A1 Photosensitive resin composition and method for forming a photoresist pattern MITSUBISHI CHEMICAL CORPORATION (JP) 1996-03-27 EP disclosed