SCHEMBL29318070

SCHEMBL29318070

Cc1cc(C(C)(C)c2ccc(OCCCO)c(C)c2)ccc1OO

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ESR1 P03372 10/20 0.45
RECQL P46063 1/20 0.44
VDR P11473 5/20 0.42
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL26746964 0.88 KDM4E (0.47) KDM4EESR1RECQLVDRALDH1A1
SCHEMBL347430 0.85 KDM4E (0.53) KDM4EESR1RECQLVDRALDH1A1
SCHEMBL29983623 0.85 KDM4E (0.53) KDM4EESR1RECQLVDRALDH1A1
SCHEMBL26746926 0.80 AR (0.52) VDR
SCHEMBL22001796 0.77 ESR1 (0.45) ESR1ALDH1A1SMN1; SMN2
SCHEMBL17708050 0.76 KDM4E (0.66) KDM4EESR1RECQLVDRALDH1A1
SCHEMBL11963241 0.75 SMN1; SMN2 (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL26746549 0.75 SMN1; SMN2 (0.48) KDM4EALDH1A1SMN1; SMN2
SCHEMBL814457 0.73 KDM4E (0.72) KDM4EESR1RECQLVDRALDH1A1
SCHEMBL12749068 0.73 ESR1 (0.55) KDM4EESR1RECQLVDRALDH1A1

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
EP-4400490-A2 THERMOPLASTIC RESIN HAVING CARBONATE BOND Mitsubishi Chemical Corporation (JP) 2024-07-17 EP disclosed