SCHEMBL7465971

SCHEMBL7465971

CC(C)(C)Cc1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXA2R P21731 3/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
MAPT P10636 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.39
RECQL P46063 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
SCHEMBL7465984 0.90 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL7465976 0.90 ALDH1A1 (0.43) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL5492543 0.85 ALDH1A1 (0.46) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL16425424 0.84 TDP1 (0.55) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL20299852 0.81 BCL9 (0.46) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL2993623 0.81 RAB9A (0.47) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL2995971 0.81 CYP1A2 (0.42) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL7518128 0.79 SMN1; SMN2 (0.49) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL8489170 0.78 CYP1A2 (0.40) RAB9AMEN1KMT2ATDP1ALDH1A1
SCHEMBL2153548 0.78 HTT (0.51) RAB9AMEN1KMT2ATDP1ALDH1A1

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
EP-1022277-B1 NEW TAXANE DERIVATIVES YAKULT HONSHA KK (JP) 2002-12-04 EP disclosed
US-6136808-A ANTITUMOR AGENTS FROM PLANTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 2000-10-24 US disclosed
EP-1022277-A1 NEW TAXANE DERIVATIVES Kabushiki Kaisha Yakult Honsha (JP) 2000-07-26 EP disclosed