SCHEMBL8026697

SCHEMBL8026697

CCC(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CC=C(O)[C@@]45C[C@@]35CC[C@]12C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.39
▸ ACACA Q13085 2/20 0.39
▸ HSD11B1 P28845 4/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CTSD P07339 1/20 0.32
▸ HSD11B2 P80365 1/20 0.32
▸ EBP Q15125 3/20 0.32
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL377472 0.89 ACLY (0.38) ACLYACACAHSD11B1PTPN11PTGS1
SCHEMBL159792 0.85 EBP (0.47) ACLYACACAHSD11B1PTPN11EBP
SCHEMBL464758 0.85 HSD11B1 (0.49) ACLYACACAHSD11B1PTPN11PTGS1
SCHEMBL6341662 0.81 HSD11B1 (0.45) ACLYACACAHSD11B1PTGS1PTGS2
SCHEMBL6410134 0.78 GABRA1 (0.58) TSHRTDP1F2POLBDPP4
Niacin SCHEMBL6684757 0.75 EBP (0.39) ACLYACACAHSD11B1PTPN11PTGS1
SCHEMBL10635071 0.74 HSD11B1 (0.40) ACLYACACAHSD11B1PTPN11PTGS1
Ferulate SCHEMBL2563897 0.71 MEN1 (0.42) ACLYACACAHSD11B1TSHRTDP1
SCHEMBL2257958 0.70 EBP (0.45) ACLYACACAHSD11B1EBP
SCHEMBL10638570 0.69 EBP (0.40) ACLYACACAHSD11B1PTPN11EBP

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
WO-2000056269-A2 NATURAL PREPARATION FOR TREATMENT OF MALE PATTERN HAIR LOSS CHIZICK STEVEN (CA) 2000-09-28 — — WO disclosed
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