SCHEMBL816885

SCHEMBL816885

C/C(=C/CC1CN1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
GRIK2 Q13002 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL817650 0.76 KMT2A (0.43) KDM1A
SCHEMBL27983967 0.75 KDM1A (0.42) KDM1A
SCHEMBL11705639 0.75 KDM1A (0.42) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL817948 0.75 GBA1 (0.46) KDM1ACYP2D6SIGMAR1
SCHEMBL818679 0.73 KMT2A (0.53)
SCHEMBL818384 0.73 KDM1A (0.56) KDM1AGRIK2CYP1A2
SCHEMBL28352215 0.72 MTNR1A (0.44) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL30705332 0.72 KDM1A (0.44) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL2490467 0.70 KDM1A (0.42) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6
SCHEMBL2171729 0.70 KDM1A (0.47) KDM1AMTNR1AMTNR1BCYP1A2CYP2D6

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-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed