SCHEMBL18622141

SCHEMBL18622141

CC(C)CCC[C@@H](C)C1CCC2[C@@H]3CC=C4CC(OC(=O)CCOCCOCCOCCOCCNC(=O)CSC[C@H](NC(C)(C)C(C)(C)C)C(N)=O)CC[C@]4(C)C3CC[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLA1 P09884 1/20 0.51
▸ CYP46A1 Q9Y6A2 2/20 0.49
▸ PLA2G2A P14555 1/20 0.49
▸ NPC1L1 Q9UHC9 4/20 0.46
▸ USP2 O75604 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ OSBP P22059 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ OSBP2 Q969R2 1/20 0.46
▸ NR1H3 Q13133 3/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ GBA1 P04062 2/20 0.43
▸ UGCG Q16739 2/20 0.43
▸ GBA2 Q9HCG7 2/20 0.43
▸ FGF2 P09038 1/20 0.43

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
SCHEMBL17212335 1.00 POLA1 (0.51) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL10237707 0.93 POLA1 (0.53) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL10237709 0.93 POLA1 (0.53) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL10237713 0.93 POLA1 (0.53) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL17212338 0.92 POLA1 (0.54) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL17212336 0.92 POLA1 (0.54) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL18621790 0.92 POLA1 (0.54) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL3712900 0.90 CYP46A1 (0.55) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL3712896 0.90 CYP46A1 (0.55) POLA1CYP46A1PLA2G2ANPC1L1USP2
SCHEMBL18622135 0.90 CYP46A1 (0.59) POLA1CYP46A1PLA2G2ANPC1L1USP2

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-9593155-B2 Oxyntomodulin analogs MERCK SHARP & DOHME CORP. (US) 2017-03-14 — — US disclosed
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