SCHEMBL19976209

SCHEMBL19976209

O=C(CCS)Oc1ccc(/C=C/c2cc(OC(=O)CCS)cc(OC(=O)CCS)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TTR P02766 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ CYP19A1 P11511 2/20 0.48
▸ EGFR P00533 3/20 0.44
▸ ERBB2 P04626 3/20 0.44
▸ ESR1 P03372 4/20 0.42
▸ TUBB4A P04350 2/20 0.42
▸ TUBB P07437 2/20 0.42
▸ TUBA3C P0DPH7 2/20 0.42
▸ TUBA1B P68363 2/20 0.42
▸ TUBA4A P68366 2/20 0.42
▸ TUBB4B P68371 2/20 0.42
▸ TUBB3 Q13509 2/20 0.42

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
SCHEMBL19975690 0.93 KMT2A (0.56) KMT2ALMNATTRMAPTKDM4E
SCHEMBL20581562 0.84 KMT2A (0.64) KMT2ALMNATTRMAPTKDM4E
SCHEMBL28462778 0.83 KMT2A (0.82) KMT2ALMNATTRMAPTKDM4E
SCHEMBL19165155 0.82 KMT2A (0.65) KMT2ALMNATTRMAPTKDM4E
SCHEMBL19039763 0.82 KMT2A (0.56) KMT2ALMNATTRMAPTKDM4E
SCHEMBL28469011 0.81 ESR1 (0.64) KMT2ALMNATTRMAPTKDM4E
SCHEMBL20581523 0.81 KMT2A (0.68) KMT2ALMNATTRMAPTKDM4E
SCHEMBL2514396 0.80 KMT2A (0.57) KMT2ALMNATTRMAPTKDM4E
SCHEMBL20581800 0.80 KMT2A (0.57) KMT2ALMNATTRMAPTKDM4E
SCHEMBL20581976 0.80 KMT2A (0.57) KMT2ALMNATTRMAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10233289-B2 Crosslinkers from biorenewable resveratrol INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-03-19 — — US disclosed
US-20180215875-A1 CROSSLINKERS FROM BIORENEWABLE RESVERATROL INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-08-02 — — US disclosed
US-20180215875-A1 CROSSLINKERS FROM BIORENEWABLE RESVERATROL INTERNATIONAL BUSINESS MACHINES CORPORATION 2018-08-02 — — US disclosed
US-9920171-B1 Crosslinkers from biorenewable resveratrol INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-03-20 — — US disclosed
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