SCHEMBL18622135

SCHEMBL18622135

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP46A1 Q9Y6A2 2/20 0.59
▸ POLA1 P09884 1/20 0.59
▸ NR1H3 Q13133 3/20 0.54
▸ USP2 O75604 2/20 0.54
▸ OSBP P22059 2/20 0.54
▸ RORC P51449 2/20 0.54
▸ OSBP2 Q969R2 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ ABCB1 P08183 1/20 0.54
▸ NPC1L1 Q9UHC9 5/20 0.53
▸ PLA2G2A P14555 1/20 0.51
▸ FGF2 P09038 1/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ CRYAB P02511 1/20 0.48
▸ HMGCR P04035 1/20 0.48
▸ ITGB3 P05106 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ SREBF2 Q12772 1/20 0.48
▸ GBA1 P04062 2/20 0.48
▸ UGCG Q16739 2/20 0.48

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
SCHEMBL17212337 1.00 CYP46A1 (0.59) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL10237705 0.91 CYP46A1 (0.63) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL25747241 0.91 CYP46A1 (0.63) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL25797981 0.90 CYP46A1 (0.62) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL17212335 0.90 POLA1 (0.51) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL18622141 0.90 POLA1 (0.51) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL16476474 0.88 CYP46A1 (0.67) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL19566728 0.88 CYP46A1 (0.67) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL24473940 0.88 CYP46A1 (0.68) CYP46A1POLA1NR1H3USP2OSBP
SCHEMBL19578615 0.88 CYP46A1 (0.68) CYP46A1POLA1NR1H3USP2OSBP

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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