SCHEMBL8812441

SCHEMBL8812441

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(Br)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.61
NR3C1 P04150 5/20 0.61
PGR P06401 4/20 0.61
ALDH1A1 P00352 3/20 0.61
ADRA1A P35348 1/20 0.61
HTR2B P41595 1/20 0.61
LMNA P02545 8/20 0.59
SERPINA6 P08185 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
BLM P54132 4/20 0.59
CYP2C19 P33261 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 2/20 0.59
ADORA3 P0DMS8 1/20 0.59
MAPK3 P27361 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HSD17B10 Q99714 7/20 0.59
TSHR P16473 5/20 0.59
CYP3A4 P08684 3/20 0.59

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
SCHEMBL8813343 0.91 SHBG (0.64) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL8814841 0.85 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL28784862 0.83 SHBG (0.69) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL3364597 0.82 SHBG (0.63) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL20960006 0.81 SHBG (0.74) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL18884076 0.81 SHBG (0.74) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL3507483 0.81 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL3507486 0.81 SHBG (0.67) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL24437558 0.80 SHBG (0.72) SHBGNR3C1PGRALDH1A1ADRA1A
SCHEMBL572150 0.80 SHBG (0.72) SHBGNR3C1PGRALDH1A1ADRA1A

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-5622944-A MODIFIED 17-HYDROXY STEROL; TRANSDERMAL ELECTROTRANSPORT ENHANCEMENT AFFYMAX TECHNOLOGIES N.V. (GB) 1997-04-22 US disclosed