SCHEMBL9748346

SCHEMBL9748346

CC1(O)CC(C)(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 3/20 0.42
HSPB1 P04792 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
HTT P42858 1/20 0.39
SRD5A2 P31213 1/20 0.39
AKR1B1 P15121 1/20 0.39
POLB P06746 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
FFAR1 O14842 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9748606 0.84 ALDH1A1 (0.41) KDM4EMEN1KMT2AALDH1A1HSPB1
SCHEMBL9749130 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL8343185 0.77 ALDH1A1 (0.48) KDM4EMEN1KMT2AALDH1A1HSPB1
SCHEMBL10652160 0.73 ALDH1A1 (0.45) KDM4EMEN1KMT2AALDH1A1HSPB1
SCHEMBL9749398 0.72 RAB9A (0.45) KDM4EMEN1KMT2AALDH1A1HSPB1
SCHEMBL9749552 0.70 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1HSPB1
SCHEMBL10824431 0.70 ALDH1A1 (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16023929 0.69 ALDH1A1 (0.59) KDM4EMEN1KMT2AALDH1A1HSPB1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.68 HSPB1 (0.79) KDM4EMEN1KMT2AALDH1A1HSPB1
SCHEMBL11689190 0.68 HSPB1 (0.79) KDM4EMEN1KMT2AALDH1A1HSPB1

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