SCHEMBL10412468

SCHEMBL10412468

O=C(CCCCCCCCCC=C(F)F)OCCCCCCCCCCC=C(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 2/20 0.46
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 1/20 0.39
LMNA P02545 1/20 0.38
HTR2C P28335 1/20 0.38
MGLL Q99685 1/20 0.37
NAAA Q02083 1/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CNR1 P21554 1/20 0.36
RAD52 P43351 1/20 0.36

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
SCHEMBL10411604 0.84 ALDH1A1 (0.36) DGKAALDH1A1TSHRCYP3A4ALOX15
SCHEMBL10411603 0.84 ALDH1A1 (0.36) DGKAALDH1A1TSHRCYP3A4ALOX15
SCHEMBL9712587 0.79 ALDH1A1 (0.47) ALDH1A1TSHRCYP3A4ALOX15LMNA
SCHEMBL6854895 0.79 LMNA (0.61) ALDH1A1TSHRLMNA
SCHEMBL12938723 0.79 DGKA (0.50) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11326465 0.77 ALDH1A1 (0.63) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL14244897 0.77 ALDH1A1 (0.63) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11909573 0.77 ALDH1A1 (0.63) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL284812 0.77 ALDH1A1 (0.63) DGKAPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11337797 0.77 ALDH1A1 (0.63) DGKAPRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950666-A INSECTS, ACARIDS, AND NEMATODES FMC CORPORATION (US) 1990-08-21 US disclosed