SCHEMBL11440992

SCHEMBL11440992

CCOC(=O)Nc1ccc(C)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.62
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
HSD17B10 Q99714 2/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
GAA P10253 1/20 0.53

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
SCHEMBL473082 0.86 NLRP3 (0.66) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL9498689 0.86 POLB (0.67) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL6491164 0.85 HPGD (0.76) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL8781015 0.85 RAB9A (0.55) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL9515087 0.85 RAB9A (0.55) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL8251624 0.85 SMN1; SMN2 (0.58) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL1250097 0.85 RAB9A (0.67) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL10192133 0.85 NPC1 (0.57) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL7565510 0.85 RAB9A (0.71) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL11393542 0.83 NLRP3 (0.58) POLBNPC1RAB9ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562167-B2 Magnetic recording medium and magnetic coating composition for magnetic recording medium FUJIFILM CORPORATION (JP) 2017-02-07 US disclosed
US-4227913-A Inhibiting plant bud growth with substituted 2,6-dinitroanilines AMERICAN CYANAMID COMPANY (US) 1980-10-14 US disclosed
US-4123250-A Inhibiting plant bud growth with substituted 2,6-di-nitroanilines AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed