SCHEMBL8150684

SCHEMBL8150684

C[C@H](c1ccccc1)[C@]1(c2ccccc2)CCCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
CASP6 P55212 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SIGMAR1 Q99720 4/20 0.38
AKR1B1 P15121 3/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 1/20 0.38
MTOR P42345 1/20 0.38
BLM P54132 1/20 0.37

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
SCHEMBL2766163 1.00 KDM1A (0.43) KDM1ACASP6MEN1KMT2ASIGMAR1
SCHEMBL2771012 1.00 KDM1A (0.43) KDM1ACASP6MEN1KMT2ASIGMAR1
SCHEMBL11674010 0.79 SLC6A3 (0.40) KDM1ACASP6MEN1KMT2ACYP1A2
SCHEMBL8704259 0.73 KDM5A (0.42) KDM1ACASP6MEN1KMT2ASIGMAR1
Hydrogen Peroxide SCHEMBL1204658 0.70 KDM1A (0.47) KDM1ACASP6MEN1KMT2ASIGMAR1
SCHEMBL27680718 0.70 HDAC9 (0.41) KDM1AHDAC9
SCHEMBL27680719 0.70 HDAC9 (0.41) KDM1AHDAC9
SCHEMBL6316631 0.69 PGR (0.47) KDM1AMEN1KMT2ASIGMAR1AKR1B1
SCHEMBL5549331 0.69 KDM1A (0.50) KDM1ACASP6MEN1KMT2ASIGMAR1
SCHEMBL15003306 0.69 KDM1A (0.49) KDM1AMEN1KMT2ASIGMAR1AKR1B1

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
JP-2000191559-A STANDARD OF 1-PHENYL-4-(1-PHENYLETHYL)TETRALIN FOR STYRENE OLIGOMER ANALYSIS NISSIN FOOD PROD CO LTD 2000-07-11 JP disclosed