SCHEMBL11141399

SCHEMBL11141399

CCC(=O)CCC=C(C)CC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.44
FNTB P49356 4/20 0.44
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
TRPA1 O75762 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 4/20 0.37
ALOX15 P16050 2/20 0.37
CYP3A4 P08684 1/20 0.37
UGT1A1 P22309 1/20 0.37
SQLE Q14534 1/20 0.35

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
SCHEMBL11141393 1.00 FNTA (0.44) FNTAFNTBTDP1KMT2AMAPT
SCHEMBL9809318 0.89 FNTA (0.41) FNTAFNTBTDP1KMT2AMAPT
SCHEMBL9809327 0.89 FNTA (0.41) FNTAFNTBTDP1KMT2AMAPT
SCHEMBL20566059 0.87 FNTA (0.36) FNTAFNTBTDP1KMT2AMAPT
SCHEMBL20566061 0.87 FNTA (0.36) FNTAFNTBTDP1KMT2AMAPT
SCHEMBL726070 0.85 KMT2A (0.64) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL10900275 0.85 FAAH (0.43) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL10036522 0.85 KMT2A (0.64) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL10913585 0.85 FAAH (0.43) FNTAFNTBKMT2AMAPTMEN1
SCHEMBL10036544 0.85 KMT2A (0.64) FNTAFNTBKMT2AMAPTMEN1

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
EP-0035508-B1 FLAVOURING UNSATURATED KETONE FIRMENICH SA (CH) 1983-05-11 EP disclosed
US-4137273-A INSECTICIDES, CHEMICAL INTERMEDIATES ZOECON CORPORATION (US) 1979-01-30 US disclosed
US-3962282-A JUVENILE HORMONE MIMICS ELI LILLY AND COMPANY (US) 1976-06-08 US disclosed