SCHEMBL9767862

SCHEMBL9767862

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 3/20 0.33
KDM4E B2RXH2 2/20 0.33
DRD2 P14416 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
DRD4 P21917 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
SCN1A P35498 2/20 0.32
SCN2A Q99250 2/20 0.32
SCN3A Q9NY46 2/20 0.32
RAB9A P51151 2/20 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
SCHEMBL9767832 0.90 KIF11 (0.45) KCNN4ALDH1A1CYP1A2MEN1CYP2A6
SCHEMBL9767970 0.84 KCNN4 (0.38) KCNN4TSHRALDH1A1CYP2D6KDM4E
SCHEMBL9767929 0.75 ALDH1A1 (0.47) TSHRALDH1A1CYP2D6OPRM1CYP3A4
SCHEMBL23234257 0.74 KCNN4 (0.36) KCNN4TSHRALDH1A1CYP2D6KDM4E
SCHEMBL7692733 0.72 KCNN4 (0.38) KCNN4TSHRALDH1A1CYP2D6KDM4E
SCHEMBL13950355 0.69 KDM4E (0.40) KCNN4TSHRALDH1A1CYP2D6KDM4E
SCHEMBL7330688 0.69 KCNN4 (0.41) KCNN4TSHRCYP2D6DRD2OPRM1
SCHEMBL7737438 0.69 MAPK1 (0.41) KCNN4TSHRALDH1A1KDM4ETAAR1
SCHEMBL8579816 0.69 KCNN4 (0.41) KCNN4TSHRCYP2D6KDM4EDRD2
SCHEMBL7737435 0.69 MAPK1 (0.41) KCNN4TSHRALDH1A1KDM4ETAAR1

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