SCHEMBL9874686

SCHEMBL9874686

CCC(C)Nc1ccc(Nc2ccc(NC(C)CC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.86
L3MBTL1 Q9Y468 6/20 0.86
TDP1 Q9NUW8 5/20 0.86
ALOX15 P16050 4/20 0.86
TSHR P16473 4/20 0.86
HSD17B10 Q99714 4/20 0.86
CYP3A4 P08684 4/20 0.86
THRB P10828 3/20 0.86
HIF1A Q16665 2/20 0.86
TP53 P04637 1/20 0.86
HSP90AA1 P07900 1/20 0.86
CASP1 P29466 1/20 0.86
SMN1; SMN2 Q16637 1/20 0.86
MAPK1 P28482 4/20 0.57
ALOX12 P18054 3/20 0.57
RECQL P46063 2/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL49805 0.93 ALDH1A1 (1.00) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL93902 0.92 ALDH1A1 (0.72) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL31285780 0.90 ALDH1A1 (0.69) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL11107846 0.87 ALDH1A1 (0.75) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL1844486 0.86 ALDH1A1 (0.86) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL9572276 0.86 ALDH1A1 (0.86) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL11482583 0.86 ALDH1A1 (0.86) ALDH1A1L3MBTL1TDP1ALOX15TSHR
Methane SCHEMBL21294035 0.84 ALDH1A1 (0.82) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL8559868 0.84 ALDH1A1 (0.82) ALDH1A1L3MBTL1TDP1ALOX15TSHR
SCHEMBL11466441 0.84 ALDH1A1 (0.82) ALDH1A1L3MBTL1TDP1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4892563-A ANTIOXIDANT FOR LUBRICANTS, FUELS MOBIL OIL CORPORATION (US) 1990-01-09 US claimed
US-5001213-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1991-03-19 US disclosed
US-4892563-A ANTIOXIDANT FOR LUBRICANTS, FUELS MOBIL OIL CORPORATION (US) 1990-01-09 US disclosed
US-4859355-A CONTAINING MERCAPTANS MOBIL OIL CORPORATION (US) 1989-08-22 US disclosed
US-4806130-A REACTION PRODUCT OF MANNICH BASE AND MERCAPTAN MOBIL OIL CORPORATION (US) 1989-02-21 US disclosed
US-4717492-A OXIDATION RESISTANCE MOBIL OIL CORPORATION (US) 1988-01-05 US disclosed