SCHEMBL8470203

SCHEMBL8470203

CC1C[C@H]2[C@@H]3CC(F)C4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
KCNH2 Q12809 1/20 0.46
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
NR3C1 P04150 4/20 0.43
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
AR P10275 6/20 0.39
PGR P06401 5/20 0.39
CYP3A4 P08684 5/20 0.39
HIF1A Q16665 4/20 0.39
ABCB11 O95342 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38

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
SCHEMBL8470202 1.00 NFKB1 (0.46) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL7565596 0.93 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL3083179 0.93 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL8192700 0.93 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9619163 0.93 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL8207710 0.93 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL10419014 0.93 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
Methyl Alcohol SCHEMBL9756756 0.92 NFKB1 (0.54) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL8203795 0.89 NFKB1 (0.44) NFKB1NFKB2RELAKCNH2FNTA
SCHEMBL9627248 0.89 ALDH1A1 (0.50) NFKB1NFKB2RELAKCNH2FNTA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991019731-A1 STEROIDS WHICH INHIBIT ANGIOGENESIS THE UPJOHN COMPANY (US) 1991-12-26 WO claimed
US-5972922-A Steroids which inhibit angiogenesis ALCON LABORATORIES, INC. (US) 1999-10-26 US disclosed
WO-1991019731-A1 STEROIDS WHICH INHIBIT ANGIOGENESIS THE UPJOHN COMPANY (US) 1991-12-26 WO disclosed