SCHEMBL18012638

SCHEMBL18012638

CCC1(CC)c2cc(C(=O)/C(C)=N/OC(C)=O)ccc2-c2c([N+](=O)[O-])cc(C(=O)/C(C)=N/OC(C)=O)cc21

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HCAR3 P49019 4/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL18012630 0.90 HCAR3 (0.34) SMN1; SMN2PKMHPGDKMT2ACES2
SCHEMBL18012645 0.89 CES2 (0.39) SMN1; SMN2PKMKMT2ACES2CES1
SCHEMBL18012714 0.89 SMN1; SMN2 (0.34) SMN1; SMN2PKMHPGDKMT2AALDH1A1
SCHEMBL18012426 0.88 SMN1; SMN2 (0.40) SMN1; SMN2PKMHPGDKMT2AALDH1A1
SCHEMBL18012643 0.87 HCAR3 (0.39) SMN1; SMN2PKMHPGDKMT2ACES2
SCHEMBL18012786 0.86 CES2 (0.35) SMN1; SMN2PKMHPGDKMT2ACES2
SCHEMBL18012648 0.86 ALDH1A1 (0.41) HPGDKMT2AALDH1A1MAPTLMNA
SCHEMBL18012627 0.86 PKM (0.34) SMN1; SMN2PKMHPGDKMT2AALDH1A1
SCHEMBL18012814 0.84 MAPT (0.38) SMN1; SMN2PKMKMT2AMAPTPOLB
SCHEMBL18012625 0.83 MAPT (0.39) SMN1; SMN2PKMHPGDKMT2ACES2

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
WO-2016126070-A1 NOVEL OXIMESTER DERIVATIVE COMPOUND, AND PHOTOPOLYMERIZATION INITIATOR AND PHOTORESIST COMPOSITION CONTAINING SAME 한국화학연구원 2016-08-11 — — WO disclosed
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