SCHEMBL9712703

SCHEMBL9712703

C=CCCCCCCCCC=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.44
ABCC4 O15439 1/20 0.44
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
LPAR3 Q9UBY5 2/20 0.39
LPAR2 Q9HBW0 1/20 0.39
TRPA1 O75762 3/20 0.37
USP2 O75604 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
HPGD P15428 1/20 0.31
CYP3A4 P08684 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL16288102 0.79
SCHEMBL7529879 0.79
SCHEMBL16288040 0.79
SCHEMBL477953 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL18186951 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL10953007 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL2846645 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL2850911 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL18187342 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA
SCHEMBL18187333 0.76 TSHR (0.69) TSHRMAPTABCC4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081287-A Pesticidal polyhalo alkenoic acid esters FMC CORPORATION (US) 1992-01-14 US disclosed
US-4997855-A Nematocides, insecticides, anthelmintics FMC CORPORATION (US) 1991-03-05 US disclosed
US-4950666-A INSECTS, ACARIDS, AND NEMATODES FMC CORPORATION (US) 1990-08-21 US disclosed
US-4876285-A ANTHELMINTIC UTILITY FMC CORPORATION (US) 1989-10-24 US disclosed