SCHEMBL24839989

SCHEMBL24839989

CC1(C)C=C(O)CCC(c2ccc(O)cc2)=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ESR2 Q92731 6/20 0.37
▸ ESR1 P03372 3/20 0.37
▸ QDPR P09417 2/20 0.37
▸ KDM1A O60341 1/20 0.32
▸ SENP1 Q9P0U3 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NFKB1 P19838 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 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
SCHEMBL13859776 0.69 ESR1 (0.46) SMN1; SMN2ESR2ESR1QDPRMMP3
SCHEMBL2720984 0.67 ESR1 (0.56) SMN1; SMN2ESR2ESR1QDPRSENP1
SCHEMBL7033604 0.62 SMN1; SMN2 (0.50) SMN1; SMN2ESR2ESR1QDPRKDM1A
SCHEMBL28347432 0.62 ESR1 (0.56) SMN1; SMN2ESR2ESR1QDPRSENP1
SCHEMBL2719790 0.60 ESR1 (0.53) SMN1; SMN2ESR2ESR1QDPRSENP1
SCHEMBL8405010 0.60 QDPR (0.56) SMN1; SMN2ESR2ESR1QDPRMMP3
SCHEMBL6292004 0.59 ESR1 (1.00) SMN1; SMN2ESR2ESR1MMP3BCL2L1
SCHEMBL9090705 0.59 ESR1 (1.00) SMN1; SMN2ESR2ESR1MMP3BCL2L1
Hydroquinone SCHEMBL5712110 0.59 ESR1 (1.00) SMN1; SMN2ESR2ESR1MMP3BCL2L1
SCHEMBL15632 0.59 ESR1 (1.00) SMN1; SMN2ESR2ESR1MMP3BCL2L1

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-2023276851-A1 EPOXY RESIN, EPOXY RESIN COMPOSITION, AND CURED PRODUCT OF SAME 日鉄ケミカル&マテリアル株式会社 2023-01-05 — — WO disclosed
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