SCHEMBL4056758

SCHEMBL4056758

Cc1ccc(I)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KIF11 P52732 4/20 0.35
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
ACSS2 Q9NR19 1/20 0.32

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
SCHEMBL11020376 0.81 SMN1; SMN2 (0.47) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL16191085 0.81 CNR1 (0.42) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL28570239 0.78 ALDH1A1 (0.45) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL3688880 0.78 CNR1 (0.51) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL6546944 0.77 MAPT (0.47) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL21692816 0.76 ALDH1A1 (0.44) CYP3A4ALDH1A1CYP2A6TDP1MEN1
SCHEMBL11205905 0.75 MAPK1 (0.48) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL11022050 0.74 KIF11 (0.44) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL10608720 0.74 CNR1 (0.41) CNR1CNR2ESR1ESR2CYP3A4
SCHEMBL11303075 0.71 CNR1 (0.36) CNR1CNR2ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023232399-A1 SNAP-CURE FLEXIBLE ELECTRICALLY CONDUCTIVE ONE COMPONENT (1K) EPOXY ADHESIVE COMPOSITION HENKEL AG & CO. KGAA (DE) 2023-12-07 WO claimed
EP-4286488-A1 SNAP-CURE FLEXIBLE ELECTRICALLY CONDUCTIVE ONE-COMPONENT (1K) EPOXY ADHESIVE COMPOSITION Henkel AG & Co. KGaA (DE) 2023-12-06 EP claimed
EP-2054770-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS STX Aprilis, Inc. (US) 2009-05-06 EP claimed
WO-2008021208-A2 SENSITIZER DYES FOR PHOTOACID GENERATING SYSTEMS USING SHORT VISIBLE WAVELENGTHS STX APRILIS, INC. (US) 2008-02-21 WO claimed