SCHEMBL28570841

SCHEMBL28570841

CC(C)=CCC/C(C)=C/CNc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.56
KMT2A Q03164 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ICMT O60725 1/20 0.45
GMNN O75496 1/20 0.45
TRPA1 O75762 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CDK2 P24941 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8224019 0.98 TRPV1 (0.55) TRPV1KMT2AICMTGMNNTRPA1
SCHEMBL7999437 0.86 TRPV1 (0.43) TRPV1KMT2AICMTGMNNTRPA1
SCHEMBL563811 0.84 TAS2R38 (0.45) KMT2ACYP1A2POLBMAPTHSD17B10
SCHEMBL6654122 0.83 TRPV1 (0.51) TRPV1ICMTGMNNTRPA1LMNA
SCHEMBL3593344 0.83 TRPV1 (0.51) TRPV1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL3593347 0.83 TRPV1 (0.51) TRPV1KMT2ACYP1A2CYP3A4MAPT
SCHEMBL9058968 0.83 TRPV1 (0.51) TRPV1ICMTGMNNTRPA1LMNA
SCHEMBL9059232 0.82 TRPV1 (0.50) TRPV1ICMTGMNNTRPA1LMNA
SCHEMBL9059233 0.82 TRPV1 (0.50) TRPV1ICMTGMNNTRPA1LMNA
Hydrochloric Acid SCHEMBL28489117 0.82 TAS2R38 (0.43) KMT2APOLBMAPTHSD17B10

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
CN-108774170-B Octahydroacridine skeleton with three continuous chiral centers and preparation method thereof 中南大学 2021-05-14 CN disclosed