SCHEMBL9749130

SCHEMBL9749130

CC1(O)CC(C)(C)c2ccc(Oc3ccc(N)cc3)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
NLRP1 Q9C000 1/20 0.39
NOD2 Q9HC29 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TEAD4 Q15561 1/20 0.37
POLB P06746 1/20 0.36
MAOA P21397 2/20 0.34

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
SCHEMBL9749135 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9748346 0.82 KDM4E (0.42) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847544 0.80 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847543 0.80 ALDH1A1 (0.42) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL9847533 0.78 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL16248010 0.75 SMN1; SMN2 (0.49) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL29608602 0.74 SMN1; SMN2 (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL203793 0.74 SMN1; SMN2 (0.47) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1
SCHEMBL10824431 0.73 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL24684596 0.70 RXRA (0.43) ALDH1A1MAPK1MAPTSMN1; SMN2MEN1

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