SCHEMBL4247041

SCHEMBL4247041

CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23O[C@H]3CC2CC(O)CC[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G1B P04054 1/20 0.60
▸ INPP5D Q92835 1/20 0.53
▸ USP2 O75604 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP8B1 Q9UNU6 1/20 0.51
▸ CDC25A P30304 5/20 0.48
▸ CDC25B P30305 5/20 0.48
▸ GPBAR1 Q8TDU6 5/20 0.47
▸ NR1H4 Q96RI1 2/20 0.47
▸ NPC1L1 Q9UHC9 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL18541413 0.84 INPP5D (0.73) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL4247042 0.84 PLA2G1B (0.52) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL4247039 0.84 PLA2G1B (0.52) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL7127645 0.83 INPP5D (0.55) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL7127648 0.83 INPP5D (0.55) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL6560622 0.81 INPP5D (0.62) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL6560618 0.81 INPP5D (0.62) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL24103972 0.81 INPP5D (0.64) PLA2G1BINPP5DUSP2MEN1KMT2A
SCHEMBL20481952 0.73 GPR183 (0.58) PLA2G1BUSP2MEN1KMT2AALDH1A1
SCHEMBL22959587 0.73 GPR183 (0.58) PLA2G1BUSP2MEN1KMT2AALDH1A1

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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