SCHEMBL8715306

SCHEMBL8715306

COc1ccccc1CC(C)[C@@H](N)[C@H](O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CASR P41180 3/20 0.38
MC4R P32245 1/20 0.38
CCR3 P51677 2/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CETP P11597 2/20 0.37
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
CACNA1G O43497 1/20 0.36

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
SCHEMBL8715309 1.00 MEN1 (0.40) MEN1KMT2ACASRMC4RCCR3
SCHEMBL8719221 0.87 PNMT (0.43) MC4RAKR1C3AKR1C2
SCHEMBL8719224 0.87 PNMT (0.43) MC4RAKR1C3AKR1C2
SCHEMBL8720035 0.86 ATM (0.46) MEN1KMT2AKCNH2CYP2D6SLC6A2
SCHEMBL8720039 0.86 ATM (0.46) MEN1KMT2AKCNH2CYP2D6SLC6A2
SCHEMBL8713544 0.85 SMN1; SMN2 (0.41) KMT2AKCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL8713546 0.85 SMN1; SMN2 (0.41) KMT2AKCNH2CYP2D6SLC6A2SLC6A4
SCHEMBL8717465 0.84 KMT2A (0.41) MEN1KMT2AKCNH2CYP2D6SLC6A2
SCHEMBL8713634 0.84 HSD11B1 (0.36) MEN1KMT2A
SCHEMBL8713637 0.84 HSD11B1 (0.36) MEN1KMT2A

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-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed