SCHEMBL9749356

SCHEMBL9749356

CC1(C)CCc2ccc(Oc3ccc(N)cc3)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PPARG P37231 9/20 0.41
PPARA Q07869 9/20 0.41
DAGLA Q9Y4D2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
PPARD Q03181 1/20 0.39
TEAD4 Q15561 1/20 0.39
ABHD6 Q9BV23 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
SCHEMBL9847588 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9749396 0.83 KDM4E (0.47) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL2856886 0.83 AKT1 (0.43) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9847593 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1SMN1; SMN2MAPTMEN1
SCHEMBL9847605 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1PPARGPPARAPPARD
SCHEMBL9749398 0.81 RAB9A (0.45) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL4972696 0.80 CA2 (0.49) MAPTPPARACYP3A4
SCHEMBL31260287 0.80 CA2 (0.49) MAPTPPARACYP3A4
SCHEMBL9847551 0.79 PPARG (0.43) ALDH1A1MAPK1SMN1; SMN2PPARGPPARA
SCHEMBL9749254 0.79 PPARG (0.39) PPARGPPARADAGLAPPARDABHD6

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