SCHEMBL11103160

SCHEMBL11103160

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 8/20 0.71
KMT2A Q03164 3/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
ALDH1A1 P00352 1/20 0.71
MAPT P10636 1/20 0.71
PMP22 Q01453 1/20 0.71
MEN1 O00255 2/20 0.55
AKR1B10 O60218 1/20 0.55
AKR1B1 P15121 1/20 0.55
EFNA1 P20827 1/20 0.55
EPHA2 P29317 1/20 0.55
PSEN1 P49768 1/20 0.55
PSEN2 P49810 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55
APH1B Q8WW43 1/20 0.55
NCSTN Q92542 1/20 0.55
APH1A Q96BI3 1/20 0.55

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
SCHEMBL16213874 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6830022 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3669161 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL19156397 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3046110 1.00 G6PD (0.71) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL27876896 0.90 G6PD (0.57) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3988193 0.88 G6PD (0.58) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL3122440 0.88 G6PD (0.72) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11350178 0.88 G6PD (0.72) G6PDKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL9623226 0.88 G6PD (0.56) G6PDKMT2ACYP1A2CYP3A4CYP2C9

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
US-4424159-A Process for the synthesis of the hydroxyacetyl side-chain of steroids of the pregnane type, novel 21-hydroxy-20-oxo-17α-pregnane compounds and pharmaceutical preparations containing them CIBA-GEIGY CORPORATION (US) 1984-01-03 US disclosed
EP-0005758-B1 PROCESS FOR THE SYNTHESIS OF THE HYDROXYACETYL SIDE CHAIN OF PREGNANE STEROIDS, 21-HYDROXY 20-OXO-17 ALPHA PREGNANES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-05-18 EP disclosed
EP-0005758-A1 Process for the synthesis of the hydroxyacetyl side chain of pregnane steroids, 21-hydroxy 20-oxo-17 alpha pregnanes and pharmaceutical preparations containing them CIBA-GEIGY AG (CH) 1979-12-12 EP disclosed