SCHEMBL27808104

SCHEMBL27808104

CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 6/20 1.00
CYP17A1 P05093 5/20 0.73
ALDH1A1 P00352 1/20 0.70
CYP2C9 P11712 1/20 0.70
HIF1A Q16665 1/20 0.70
G6PD P11413 4/20 0.61
LMNA P02545 3/20 0.61
SERPINA6 P08185 3/20 0.61
MEN1 O00255 1/20 0.61
GUSB P08236 1/20 0.61
CYP3A4 P08684 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61
GPBAR1 Q8TDU6 1/20 0.61
TSHR P16473 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ESR1 P03372 1/20 0.58
AR P10275 1/20 0.58
ESR2 Q92731 1/20 0.58

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
SCHEMBL17776491 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL138937 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL142941 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL658688 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL735471 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL18373712 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL20457510 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL27633183 1.00 SHBG (1.00) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
Sulfuric Acid SCHEMBL1576876 0.96 SHBG (0.91) SHBGCYP17A1ALDH1A1CYP2C9HIF1A
SCHEMBL31086698 0.92 SHBG (0.85) SHBGCYP17A1ALDH1A1CYP2C9HIF1A

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
CN-102066346-A Process for making substituted 2-amino-thiazolones AMGEN INC 2011-05-18 CN disclosed