SCHEMBL9569896

SCHEMBL9569896

O=C(OCCCl)C1(C(F)(F)C(F)(F)Oc2ccccc2)OCCO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 2/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP2C19 P33261 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
PRCP P42785 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
SCHEMBL9569900 0.72 ICMT (0.32) SSTR4NPC1GAARAB9ASMN1; SMN2
SCHEMBL9569845 0.69 NPC1 (0.33) NPC1GAARAB9ASMN1; SMN2HSD17B10
SCHEMBL575071 0.65 MAPT (0.41) HSD17B10ALDH1A1MEN1KMT2APKM
SCHEMBL24497378 0.61 PPARG (0.41) HDAC1HDAC2CYP2C19HSD17B10CYP1A2
SCHEMBL10641866 0.60 CES1 (0.38) SSTR4HDAC1HDAC2CYP2C19TSHR
SCHEMBL28515156 0.60 EPHX2 (0.47) CYP2C19NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL6451365 0.60 HCAR2 (0.44) LMNATSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6451371 0.60 HCAR2 (0.44) LMNATSHRNPC1RAB9ASMN1; SMN2
Acetic Acid SCHEMBL29103732 0.59 EPHX2 (0.50) HDAC1HDAC2CYP2C19NPC1RAB9A
SCHEMBL10634257 0.59 CES1 (0.41) HDAC1HDAC2CYP2C19TSHRHSD17B10

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-5227500-A Halogenated 1,3-dioxolanes and derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-07-13 US disclosed
EP-0529741-A1 Procedure for the preparation of halogenated 1,3-dioxolanes E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-03-03 EP disclosed
US-5057586-A Fluoropolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-15 US disclosed
US-4973714-A ADDITION POLYMERS, FLUOROPOLYMERS, HEAT RESISTANCE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-11-27 US disclosed
US-4810806-A FROM A HALOETHYL CARBOXYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0301881-A1 Halogenated 1,3-dioxolanes and derivatives E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-01 EP disclosed