SCHEMBL10652160

SCHEMBL10652160

CC1(C)CC(C)(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c2cc(Oc3ccc([N+](=O)[O-])cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSPB1 P04792 2/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
SRD5A2 P31213 1/20 0.39
RECQL P46063 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL9356391 0.90 LTA4H (0.46) ALDH1A1RXRARXRBRXRGKDM4E
SCHEMBL29895266 0.86 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1HTTMAPK1
SCHEMBL11691096 0.86 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1HTTMAPK1
SCHEMBL8343185 0.85 ALDH1A1 (0.48) ALDH1A1HSPB1RXRARXRBRXRG
SCHEMBL9263204 0.83 SMN1; SMN2 (0.43) ALDH1A1KMT2AMEN1HTTMAPK1
SCHEMBL24684847 0.82 RXRA (0.44) ALDH1A1RXRARXRBRXRGKMT2A
SCHEMBL24684596 0.81 RXRA (0.43) ALDH1A1RXRARXRBRXRGKMT2A
SCHEMBL28517552 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HTTMAPK1
SCHEMBL24684846 0.76 TEAD4 (0.50) ALDH1A1RXRARXRBRXRGKMT2A
SCHEMBL24684585 0.76 TEAD4 (0.50) ALDH1A1RXRARXRBRXRGKMT2A

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-4734482-A Polyimide from ether diamine having the indane structure and high-temperature adhesive of polyimide MITSUI TOATSU CHEMICALS, INC. (JP) 1988-03-29 US disclosed