SCHEMBL11115189

SCHEMBL11115189

CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC[C@H](CCO)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1L1 Q9UHC9 6/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GPBAR1 Q8TDU6 5/20 0.41
▸ CYP2C9 P11712 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ VDR P11473 1/20 0.39
▸ POLA1 P09884 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL11114829 1.00 NPC1L1 (0.42) NPC1L1MEN1USP2LMNATP53
SCHEMBL26669399 0.93 GPBAR1 (0.47) NPC1L1MEN1USP2LMNATP53
SCHEMBL9829186 0.93 GPBAR1 (0.47) NPC1L1MEN1USP2LMNATP53
SCHEMBL11116663 0.92 NPC1L1 (0.41) NPC1L1MEN1USP2LMNATP53
SCHEMBL11117436 0.92 NPC1L1 (0.41) NPC1L1MEN1USP2LMNATP53
SCHEMBL12136662 0.91 POLB (0.46) NPC1L1MEN1USP2LMNATP53
SCHEMBL22872155 0.91 POLB (0.46) NPC1L1MEN1USP2LMNATP53
SCHEMBL12138261 0.91 POLB (0.46) NPC1L1MEN1USP2LMNATP53
SCHEMBL9829516 0.89 NPC1L1 (0.49) NPC1L1MEN1USP2LMNATP53
SCHEMBL11778820 0.88 NPC1L1 (0.48) NPC1L1MEN1USP2LMNATP53

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
US-4452793-A INSECTICIDES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1984-06-05 — — US disclosed
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