SCHEMBL30938680

SCHEMBL30938680

COc1ccc2c(c1)CC/C(=C\N(C)C)C2=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 7/20 0.63
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ MAPT P10636 4/20 0.60
▸ CYP26A1 O43174 3/20 0.60
▸ LMNA P02545 3/20 0.60
▸ CYP19A1 P11511 1/20 0.60
▸ MAPK1 P28482 1/20 0.59
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ ABCB1 P08183 2/20 0.57
▸ CYP27A1 Q02318 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ PKM P14618 1/20 0.57

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
SCHEMBL29946409 1.00 MIF (0.63) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL7001015 1.00 MIF (0.63) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL7001016 1.00 MIF (0.63) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL17571252 0.90 MAOB (0.64) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL6990658 0.90 MAOB (0.64) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL6990660 0.90 MAOB (0.64) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL6361514 0.82 MIF (0.67) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL7517262 0.82 MIF (0.66) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL12760787 0.82 MIF (0.67) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1
SCHEMBL1814542 0.81 MIF (0.48) MIFSMN1; SMN2ALDH1A1MAPTCYP26A1

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
CN-118184606-A Method for preparing 2, 5-disubstituted and 2,3, 5-trisubstituted furan skeleton derivative 中国医学科学院药物研究所 2024-06-14 — — CN disclosed
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