SCHEMBL9767970

SCHEMBL9767970

[CH2]C=CC(CC)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
CYP2D6 P10635 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
CHRM3 P20309 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL9767929 0.89 ALDH1A1 (0.47) ALDH1A1TSHRCYP2D6OPRM1CYP3A4
SCHEMBL9767862 0.84 KCNN4 (0.35) KCNN4ALDH1A1TSHRTAAR1CYP2D6
SCHEMBL9768017 0.81 MMP1 (0.33) ALDH1A1KDM4E
SCHEMBL8318818 0.76 KCNN4 (0.41) KCNN4ALDH1A1TSHRTAAR1CYP2D6
SCHEMBL7310316 0.75 ALDH1A1 (0.41) KCNN4ALDH1A1TSHRCYP2D6DRD2
SCHEMBL1148767 0.74 KCNN4 (0.40) KCNN4ALDH1A1TSHRTAAR1DRD2
SCHEMBL14910749 0.72 KCNN4 (0.39) KCNN4ALDH1A1TSHRTAAR1MAPK1
SCHEMBL7737435 0.71 MAPK1 (0.41) KCNN4ALDH1A1TSHRTAAR1KDM4E
SCHEMBL7737438 0.71 MAPK1 (0.41) KCNN4ALDH1A1TSHRTAAR1KDM4E
SCHEMBL19744497 0.70 KCNN4 (0.40) KCNN4ALDH1A1TSHRTAAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5022914-A Pre- and post-emergence; broad leaf plants; rice BASF AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed