SCHEMBL11644271

SCHEMBL11644271

CCOOC(=O)C(C)=CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AKR1B1 P15121 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5285902 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL351793 0.84 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL28413078 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL715040 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL27634041 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL24425868 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL5289699 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL27473998 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL22716126 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL27662140 0.79 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4131563-A Process of preparing substantially solid waste containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage STEAG KERNENERGIE G.M.B.H. (DE) 1978-12-26 US disclosed
US-4009116-A Process of preparing substantially organic waste liquids containing radioactive or toxic substances for safe, non-pollutive handling, transportation and permanent storage BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 US disclosed
US-3975205-A ION EXCHANGING SUDDEUTSCHE ZUCKER-AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed