SCHEMBL9734005

SCHEMBL9734005

O=S(=O)(c1ccc(Oc2ccccc2)cc1)C(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.58
LMNA P02545 4/20 0.53
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MMP3 P08254 3/20 0.47
MMP1 P03956 2/20 0.47
MMP8 P22894 2/20 0.47
MMP13 P45452 1/20 0.47
PGR P06401 2/20 0.47
MMP9 P14780 3/20 0.46
MMP2 P08253 2/20 0.46
MMP14 P50281 2/20 0.46
LTA4H P09960 1/20 0.46
TSHR P16473 1/20 0.46
TARS1 P26639 1/20 0.46

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
SCHEMBL719362 0.81 LMNA (0.50) LMNASMN1; SMN2CA1CA2CA9
SCHEMBL13588869 0.81 SOS1 (0.58) SOS1LMNAHTTSMN1; SMN2FFAR1
Iodide SCHEMBL31414542 0.79 LMNA (0.49) LMNAHTTSMN1; SMN2CA1CA2
SCHEMBL11797040 0.78 SOS1 (0.64) SOS1LMNAHTTSMN1; SMN2FFAR1
SCHEMBL9249109 0.78 SOS1 (0.64) SOS1LMNAHTTSMN1; SMN2FFAR1
SCHEMBL8164394 0.78 CA12 (0.54) LMNACA1CA2CA9MMP1
SCHEMBL6123058 0.77 HTT (0.81) SOS1LMNAHTTSMN1; SMN2FFAR1
SCHEMBL17559302 0.77 HTT (0.81) SOS1LMNAHTTSMN1; SMN2FFAR1
SCHEMBL146566 0.77 HTT (0.81) SOS1LMNAHTTSMN1; SMN2FFAR1
SCHEMBL11415437 0.77 HTT (0.81) SOS1LMNAHTTSMN1; SMN2FFAR1

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-5175302-A Nucleophilic fluoroalkylation of aldehydes ETHYL CORPORATION (US) 1992-12-29 US disclosed
US-4999429-A Process for the preparation of α,α,β-1-trifluoro-1-olefinic derivatives ETHYL CORPORATION (US) 1991-03-12 US disclosed
US-4837327-A Process for nucleophilic fluoroalkylation of aldehydes ETHYL CORPORATION (US) 1989-06-06 US disclosed