SCHEMBL9729514

SCHEMBL9729514

COCC(O)(c1cccc(C)c1)c1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ACHE P22303 3/20 0.39
KIF11 P52732 5/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
IDO1 P14902 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
PTPN5 P54829 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL9729433 0.80 CHRM3 (0.46) LMNAKIF11KCNH2CHRM3
SCHEMBL9729319 0.80 CHRM3 (0.46) ACHEKIF11CHRM2CHRM3EDNRB
SCHEMBL19884937 0.78 SMN1; SMN2 (0.47) CYP2D6CYP3A4CYP2C9CYP2C19CHRM2
SCHEMBL2066853 0.77 KIF11 (0.49) LMNAACHEKIF11CYP2D6CYP3A4
SCHEMBL8784973 0.73 ACHE (0.52) LMNAACHEKIF11CYP2D6CYP3A4
SCHEMBL31589254 0.73 ACHE (0.52) LMNAACHEKIF11CYP2D6CYP3A4
SCHEMBL3677112 0.73 ACHE (0.52) LMNAACHEKIF11CYP2D6CYP3A4
SCHEMBL6618203 0.71 HTT (0.55) LMNAKIF11CYP2D6CYP3A4CYP2C9
SCHEMBL5876419 0.71 HTT (0.55) LMNAKIF11CYP2D6CYP3A4CYP2C9
SCHEMBL6618200 0.71 HTT (0.55) LMNAKIF11CYP2D6CYP3A4CYP2C9

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
US-5112988-A ISOINDOLONE DERIVATIVES RHONE-POULENC SANTE (FR) 1992-05-12 US disclosed
US-5102667-A Antiallergens, antiinflammatory agents, nervous system disorders, immunology, psychological disorders RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed