SCHEMBL7734384

SCHEMBL7734384

C[C@@H]1C[C@@H](O)CC[C@]1(C)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
LMNA P02545 1/20 0.33
SERPINA6 P08185 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2349867 0.78 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL12304844 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL9290693 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL6847867 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL10260567 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL4763672 0.78 LMNA (0.38) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL3112785 0.78 SHBG (0.33) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL10261009 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL10292100 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6
SCHEMBL16448400 0.78 SHBG (0.36) SHBGTSHRGPBAR1LMNASERPINA6

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-6399787-B1 TRANSITION METAL COMPLEX PENN STATE RESEARCH FOUNDATION 2002-06-04 US disclosed