SCHEMBL9748606

SCHEMBL9748606

COC1(C)CC(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
HSPB1 P04792 2/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MYOC Q99972 1/20 0.36
POLB P06746 2/20 0.36
SRD5A2 P31213 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LTA4H P09960 1/20 0.35
PTGS1 P23219 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
SCHEMBL9748346 0.84 KDM4E (0.42) ALDH1A1HSPB1RAB9AMAPTNPC1
SCHEMBL9749135 0.83 ALDH1A1 (0.44) ALDH1A1RAB9AMAPTNPC1KMT2A
SCHEMBL9754845 0.79 RXRA (0.33)
SCHEMBL9754850 0.77 MTNR1B (0.38) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL8464205 0.76 RXRA (0.36) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL8343185 0.76 ALDH1A1 (0.48) ALDH1A1HSPB1RAB9AMAPTNPC1
SCHEMBL29390499 0.75 MEN1 (0.43) RAB9AKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL8769248 0.74 FTO (0.31)
SCHEMBL10652160 0.73 ALDH1A1 (0.45) ALDH1A1HSPB1RAB9AMAPTNPC1
SCHEMBL9749398 0.72 RAB9A (0.45) ALDH1A1HSPB1RAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed