SCHEMBL11739664

SCHEMBL11739664

Cc1ccc(-c2ccccc2Oc2ccccc2-c2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
AGTR1 P30556 1/20 0.49
MAPK1 P28482 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
ALPL P05186 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
S1PR1 P21453 1/20 0.43
HSPB1 P04792 1/20 0.41

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
SCHEMBL4267275 0.83 TSHR (0.44) TSHRCYP3A4ALDH1A1LMNAAGTR1
SCHEMBL11189916 0.83 TSHR (0.72) TSHRCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL11188342 0.82 L3MBTL1 (0.53) ALDH1A1MAPK1SMN1; SMN2L3MBTL1TDP1
SCHEMBL3208138 0.81 L3MBTL1 (0.58) ALDH1A1LMNAL3MBTL1TDP1HPGD
SCHEMBL11901213 0.79 TSHR (0.62) TSHRCYP3A4ALDH1A1LMNAAGTR1
SCHEMBL9687621 0.78 TSHR (0.64) TSHRCYP3A4ALDH1A1LMNAAGTR1
SCHEMBL11406237 0.78 HPGD (0.68) ALDH1A1LMNASMN1; SMN2L3MBTL1TDP1
SCHEMBL11414746 0.78 MASP2 (0.57) TSHRCYP3A4ALDH1A1LMNAMAPK1
SCHEMBL8329482 0.77 L3MBTL1 (0.58) ALDH1A1LMNAAGTR1MAPK1SMN1; SMN2
SCHEMBL2960968 0.77 ALDH1A1 (0.61) TSHRCYP3A4ALDH1A1LMNAAGTR1

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-4042603-A SUBSTITUTED DIBENZOFURAN OR 9-FLUORENONE FROM A DIPHENYL ETHER OR BENZOPHENONE UBE INDUSTRIES, LTD. (JA) 1977-08-16 US disclosed