SCHEMBL8713610

SCHEMBL8713610

COc1ccccc1CC(C)(C[C@H](N)O)c1cccc(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
NR3C1 P04150 5/20 0.41
NR3C2 P08235 5/20 0.41
PGR P06401 1/20 0.39
CASR P41180 4/20 0.37
GNRHR P30968 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB3 P13945 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.33
IDO1 P14902 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
SCHEMBL8719259 0.90 NR3C1 (0.39) LMNANR3C1NR3C2PGRCASR
SCHEMBL8716161 0.88 SLC6A2 (0.36) NR3C1NR3C2CASR
SCHEMBL8720320 0.86 NR3C1 (0.41) LMNANR3C1NR3C2GNRHRL3MBTL1
SCHEMBL8714126 0.85 KIF11 (0.33) NR3C1GNRHRADRB2
SCHEMBL8713790 0.85 NR3C1 (0.47) NR3C1NR3C2PGRCASRIDO1
SCHEMBL8716180 0.84 IDO1 (0.41) LMNANR3C1NR3C2L3MBTL1ALDH1A1
SCHEMBL8713152 0.83 RAB9A (0.39) LMNANR3C1NR3C2PGRCASR
SCHEMBL8716634 0.81 NR3C1 (0.38) LMNANR3C1NR3C2L3MBTL1ALDH1A1
SCHEMBL8716700 0.81 MPO (0.40) LMNANR3C1NR3C2ALDH1A1IDO1
SCHEMBL8716208 0.78 SLC6A2 (0.38) NR3C1NR3C2GNRHRADRB2ALDH1A1

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