SCHEMBL9623230

SCHEMBL9623230

C[C@]12CC[C@H]3[C@@H](CCC4CCCC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CI

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 6/20 0.56
KMT2A Q03164 3/20 0.56
CYP3A4 P08684 3/20 0.56
PMP22 Q01453 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
AKR1B10 O60218 2/20 0.54
AKR1B1 P15121 2/20 0.54
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
EFNA1 P20827 1/20 0.54
EPHA2 P29317 1/20 0.54
PSEN1 P49768 1/20 0.54
PSEN2 P49810 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.54
APH1B Q8WW43 1/20 0.54
NCSTN Q92542 1/20 0.54

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
SCHEMBL9623226 1.00 G6PD (0.56) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL3046110 0.88 G6PD (0.71) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL16213874 0.88 G6PD (0.71) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL3669161 0.88 G6PD (0.71) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL6830022 0.88 G6PD (0.71) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL19156397 0.88 G6PD (0.71) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL11103160 0.88 G6PD (0.71) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL27876896 0.88 G6PD (0.57) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL11350178 0.87 G6PD (0.72) G6PDKMT2ACYP3A4PMP22CYP1A2
SCHEMBL3988188 0.87 G6PD (0.58) G6PDKMT2ACYP3A4PMP22CYP1A2

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-5175154-A Antiobesity, antidiabetic, antilipemic, anticholesterol agents RESEARCH CORPORATION TECHNOLOGIES, INC. 1992-12-29 US disclosed