SCHEMBL11615772

SCHEMBL11615772

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.76
SERPINA6 P08185 5/20 0.76
LMNA P02545 5/20 0.76
NR3C1 P04150 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
SHBG P04278 4/20 0.76
TSHR P16473 3/20 0.76
CYP3A4 P08684 2/20 0.76
PMP22 Q01453 2/20 0.76
ALDH1A1 P00352 2/20 0.76
CYP2D6 P10635 1/20 0.76
KCNA1 Q09470 1/20 0.76
SLC47A1 Q96FL8 1/20 0.76
FNTA P49354 5/20 0.70
FNTB P49356 5/20 0.70
BLM P54132 3/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
AR P10275 1/20 0.70
POLB P06746 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
SCHEMBL1625974 0.92 HSD17B10 (0.79) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
SCHEMBL1625973 0.92 HSD17B10 (0.79) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
SCHEMBL19327145 0.89 HSD17B10 (0.79) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
SCHEMBL11885536 0.89 HSD17B10 (0.79) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
SCHEMBL143924 0.89 HSD17B10 (0.79) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
Cortisone SCHEMBL4888 0.87 HSD17B10 (1.00) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
Cortisone SCHEMBL9926754 0.87 HSD17B10 (1.00) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
Cortisone SCHEMBL13332835 0.87 HSD17B10 (1.00) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
Cortisone SCHEMBL6535496 0.87 HSD17B10 (1.00) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2
SCHEMBL20243021 0.87 HSD17B10 (0.75) HSD17B10SERPINA6LMNANR3C1SMN1; SMN2

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-3944577-A Novel pregnane-21-oic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1976-03-16 US claimed
US-4066650-A ANTIBACTERIAL AGENTS, ANTIVIRAL AGENTS, ANTINEOPLASTIC AGENTS, RADIOSENSITIZERS EGYUD LASZLO G 1978-01-03 US disclosed
US-3944577-A Novel pregnane-21-oic acid derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1976-03-16 US disclosed