SCHEMBL4247039

SCHEMBL4247039

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(O)CCCC3C[C@@H]3O[C@@]312

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.52
▸ INPP5D Q92835 1/20 0.50
▸ CDC25A P30304 13/20 0.47
▸ CDC25B P30305 13/20 0.47
▸ CYP8B1 Q9UNU6 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1L1 Q9UHC9 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL4247042 1.00 PLA2G1B (0.52) PLA2G1BINPP5DCDC25ACDC25BCYP8B1
SCHEMBL4247041 0.84 PLA2G1B (0.60) PLA2G1BINPP5DCDC25ACDC25BCYP8B1
SCHEMBL7832674 0.73 CYP8B1 (0.63) CDC25ACDC25BCYP8B1MEN1KMT2A
SCHEMBL16226832 0.72 INPP5D (0.57) PLA2G1BINPP5DCDC25ACDC25BMEN1
SCHEMBL3447573 0.70 CYP2D6 (0.65) INPP5DCDC25ACDC25BMEN1USP2
SCHEMBL28408 0.70 CYP2D6 (0.65) INPP5DCDC25ACDC25BMEN1USP2
SCHEMBL9224303 0.70 CYP2D6 (0.65) INPP5DCDC25ACDC25BMEN1USP2
SCHEMBL133952 0.70 CYP2D6 (0.65) INPP5DCDC25ACDC25BMEN1USP2
SCHEMBL18541413 0.70 INPP5D (0.73) PLA2G1BINPP5DCDC25ACDC25BCYP8B1
Water SCHEMBL4949873 0.69 CYP2D6 (0.64) INPP5DCDC25ACDC25BMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946201-B2 Methods for inhibiting TGF-β SAINT LOUIS UNIVERSITY (US) 2015-02-03 — — US disclosed
US-20090062247-A1 METHODS FOR INHIBITING TGF-beta ST. LOUIS UNIVERSITY 2009-03-05 — — US disclosed
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