SCHEMBL28042845

SCHEMBL28042845

C[C@]12CC[C@H](O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C=O)CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.68
GABRB2 P47870 3/20 0.68
LMNA P02545 3/20 0.68
CYP3A4 P08684 3/20 0.68
GPBAR1 Q8TDU6 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2C9 P11712 2/20 0.68
CYP2C19 P33261 2/20 0.68
SHBG P04278 1/20 0.68
SERPINA6 P08185 1/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
GABRP O00591 2/20 0.64
GABRD O14764 2/20 0.64
G6PD P11413 2/20 0.64
GABRB1 P18505 2/20 0.64
GABRG2 P18507 2/20 0.64
GABRB3 P28472 2/20 0.64
GABRA5 P31644 2/20 0.64
GABRA3 P34903 2/20 0.64

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
SCHEMBL8414584 1.00 GABRA1 (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL27845752 1.00 GABRA1 (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL8412852 1.00 GABRA1 (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL8412854 1.00 GABRA1 (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL27865840 1.00 GABRA1 (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL25354429 1.00 GABRA1 (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL1591682 0.86 LMNA (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL13917761 0.86 LMNA (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL3654366 0.86 LMNA (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1
SCHEMBL3655510 0.86 LMNA (0.68) GABRA1GABRB2LMNACYP3A4GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153258-B The preparation method of 3-beta-hydroxy-androstane-17-ketone 湖南科瑞生物制药股份有限公司 2016-08-31 CN claimed
CN-105153258-A Preparation method for 3-beta-hydroxyandrost-17-one HUNAN KERY BIO PHARMACEUTICAL CO LTD 2015-12-16 CN claimed
CN-105153258-B The preparation method of 3-beta-hydroxy-androstane-17-ketone 湖南科瑞生物制药股份有限公司 2016-08-31 CN disclosed
CN-105153258-B The preparation method of 3-beta-hydroxy-androstane-17-ketone 湖南科瑞生物制药股份有限公司 2016-08-31 CN disclosed
CN-105153258-A Preparation method for 3-beta-hydroxyandrost-17-one HUNAN KERY BIO PHARMACEUTICAL CO LTD 2015-12-16 CN disclosed