SCHEMBL642973

SCHEMBL642973

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 11/20 1.00
CYP3A4 P08684 4/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C9 P11712 2/20 1.00
PMP22 Q01453 2/20 1.00
KMT2A Q03164 2/20 1.00
TSHR P16473 1/20 1.00
ALDH1A1 P00352 1/20 1.00
MAPT P10636 1/20 1.00
GABRP O00591 2/20 0.74
GABRD O14764 2/20 0.74
GABRA1 P14867 2/20 0.74
GABRB1 P18505 2/20 0.74
GABRG2 P18507 2/20 0.74
GABRB3 P28472 2/20 0.74
GABRA5 P31644 2/20 0.74
GABRA3 P34903 2/20 0.74
GABRA2 P47869 2/20 0.74
GABRB2 P47870 2/20 0.74
GABRA4 P48169 2/20 0.74

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
SCHEMBL19229447 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL20781183 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL5496387 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL21645690 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL22593890 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL17776488 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL4557082 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL18373713 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL10381095 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22
SCHEMBL597740 1.00 G6PD (1.00) G6PDCYP3A4CYP1A2CYP2C9PMP22

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458399-B1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2012-08-08 EP claimed
US-7960367-B2 Pregnane steroids and their use in the treatment of CNS disorders UMECRINE AB (SE) 2011-06-14 US claimed
EP-2275109-A2 Pregnane steroids for use in the treatment of CNS disorders Umecrine AB (SE) 2011-01-19 EP claimed
US-20050222099-A1 Pregnane steroids for use in the treatment of cns disorders UMECRINE AB (SE) 2005-10-06 US claimed
EP-1458399-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS Umecrine AB (SE) 2004-09-22 EP claimed
WO-2003059357-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2003-07-24 WO claimed
US-5439900-A Synergistic mixture of steroid and alcohol BUKUSOGLU CUNEYT (US) 1995-08-08 US claimed
EP-2275109-B1 Pregnane steroids for use in the treatment of CNS disorders UMECRINE AB (SE) 2013-07-24 EP disclosed
EP-1458399-B1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2012-08-08 EP disclosed
US-8119619-B2 Pregnane steroids and their use in the treatment of CNS disorders UMECRINE AB (SE) 2012-02-21 US disclosed
US-7960367-B2 Pregnane steroids and their use in the treatment of CNS disorders UMECRINE AB (SE) 2011-06-14 US disclosed
US-20110098259-A1 PREGNANE STEROIDS AND THEIR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE COGNITION AB (SE) 2011-04-28 US disclosed
EP-2275109-A2 Pregnane steroids for use in the treatment of CNS disorders Umecrine AB (SE) 2011-01-19 EP disclosed
US-20050222099-A1 Pregnane steroids for use in the treatment of cns disorders UMECRINE AB (SE) 2005-10-06 US disclosed
EP-1458399-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS Umecrine AB (SE) 2004-09-22 EP disclosed
WO-2003059357-A1 PREGNANE STEROIDS FOR USE IN THE TREATMENT OF CNS DISORDERS UMECRINE AB (SE) 2003-07-24 WO disclosed
US-5439900-A Synergistic mixture of steroid and alcohol BUKUSOGLU CUNEYT (US) 1995-08-08 US disclosed
WO-1990005528-A2 ANTI-THROMBOTIC STEROIDS CHILDREN'S MEDICAL CENTER CORPORATION (US) 1990-05-31 WO disclosed