SCHEMBL8467703

SCHEMBL8467703

C=C(C(=O)Oc1cc(C(C)(C)CC)cc(C(C)(C)CC)c1O)c1c(CC)cc(C(C)(C)CC)cc1C(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RARG P13631 2/20 0.31
RXRA P19793 2/20 0.31
PPARG P37231 2/20 0.31
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30753401 0.81 TDP1 (0.52) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL6899042 0.76 MEN1 (0.33) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL17471441 0.74 ESR1 (0.42) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL9448615 0.73 RXRA (0.36) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL1160345 0.69 SMN1; SMN2 (0.41) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL1197919 0.69 RXRA (0.40) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL28148888 0.69 MAPK1 (0.35) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL30123296 0.69 RXRA (0.40) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL809470 0.68 HSPA5 (0.47) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL27900463 0.68 MAPK1 (0.36) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2

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
US-5922812-A BLENDS WITH BUTYLENE AND PROPYLENE POLYMERS; HEAT RESISTANCE, RELEASABILITY, GAS PERMEABILITY, IMPACT RESISTANCE, HEAT SEALABILITY; CONTAINERS FOR PLATELET OR CELL STORAGE MITSUI CHEMICALS, INC. (JP) 1999-07-13 US disclosed