SCHEMBL9065157

SCHEMBL9065157

O=C(c1ccccc1)C1(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.44
CES2 O00748 4/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
AKR1C1 Q04828 1/20 0.42
PTPN1 P18031 1/20 0.41
GSK3B P49841 1/20 0.41

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
SCHEMBL15995171 0.91 LMNA (0.42) CES1TDP1CYP3A4MAPTMAPK1
SCHEMBL15189643 0.80 ESR1 (0.46) TDP1CYP3A4MAPTMAPK1KDM4E
SCHEMBL10524449 0.80 CES2 (0.50) CES1CYP3A4MAPTMAPK1KDM4E
SCHEMBL15564539 0.79 OPRM1 (0.50) CES1MAPTMAPK1MEN1KMT2A
SCHEMBL26987819 0.78 MAPT (0.50) CES1CYP3A4MAPTMAPK1MEN1
SCHEMBL13562901 0.76 LMNA (0.52) CES1TDP1CYP3A4MAPTMAPK1
SCHEMBL11341980 0.74 CES1 (0.46) CES1TDP1CYP3A4MAPTMAPK1
SCHEMBL6698945 0.74 CES1 (0.46) CES1TDP1CYP3A4MAPTMAPK1
SCHEMBL29767713 0.73 TDP1 (0.46) CES1TDP1CYP3A4MAPTMAPK1
SCHEMBL8396816 0.73 LMNA (0.44) CES1TDP1CYP3A4MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0533013-B1 Process for the production of 1-fluor-cyclopropane-1-carboxylic acid BAYER AG (DE) 1995-10-18 EP claimed
EP-0533013-A2 Process for the production of 1-fluor-cyclopropane-1-carboxylic acid BAYER AG (DE) 1993-03-24 EP claimed
JP-5246943-A None JP disclosed
CN-108530400-A 1- deoxidation bearing taxanes of C-2 and C-4 modifications and preparation method thereof 上海大学 2018-09-14 CN disclosed
US-5498750-A Process for the preparation of 1-fluoro-cyclopropane-1-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
US-5498750-A Process for the preparation of 1-fluoro-cyclopropane-1-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1996-03-12 US disclosed
EP-0533013-B1 Process for the production of 1-fluor-cyclopropane-1-carboxylic acid BAYER AG (DE) 1995-10-18 EP disclosed
US-5434303-A Process for the preparation of 1-fluoro-cyclopropane-1-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
US-5434303-A Process for the preparation of 1-fluoro-cyclopropane-1-carboxylic acid BAYER AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
JP-H05246943-A METHOD FOR PREPARATION OF 1-FLUORO-CYCLOPROPANE-1-CARBOXYLIC ACID BAYER AG 1993-09-24 JP disclosed
EP-0533013-A3 PROCESS FOR THE PRODUCTION OF 1-FLUOR-CYCLOPROPANE-1-CARBOXYLIC ACID BAYER AG (DE) 1993-05-12 EP disclosed
EP-0533013-A2 Process for the production of 1-fluor-cyclopropane-1-carboxylic acid BAYER AG (DE) 1993-03-24 EP disclosed
EP-0533013-A2 Process for the production of 1-fluor-cyclopropane-1-carboxylic acid BAYER AG (DE) 1993-03-24 EP disclosed