SCHEMBL11533573

SCHEMBL11533573

COC(=O)C(F)(F)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.51
PTPN1 P18031 5/20 0.50
PTPRB P23467 3/20 0.50
PTPN2 P17706 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPRA P18433 1/20 0.50
KCNN4 O15554 1/20 0.48
TSHR P16473 1/20 0.47
MMP8 P22894 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 2/20 0.46
SRC P12931 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
CES1 P23141 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPRC P08575 2/20 0.42

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
SCHEMBL30801460 0.84 PTPN1 (0.44) PTPN1PTPRBPTPN2MEN1KMT2A
SCHEMBL28808224 0.84 CTRB1 (0.50) CTRB1PTPN1PTPRBPTPN2MEN1
SCHEMBL2010765 0.82 ALDH1A1 (0.59) PTPN1MEN1KMT2ATSHRMMP8
SCHEMBL27777241 0.81 CES1 (0.44) CTRB1PTPN1TSHRMMP8ALDH1A1
SCHEMBL11175367 0.81 PTPRB (0.69) PTPN1PTPRBPTPN2PTPRAKCNN4
SCHEMBL27954863 0.80 PTPN1 (0.57) PTPN1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL293540 0.79 MMP8 (0.51) CTRB1PTPN1PTPRBPTPN2MEN1
SCHEMBL21811199 0.79 MMP8 (0.51) CTRB1PTPN1PTPRBPTPN2MEN1
SCHEMBL4166692 0.79 PTPN1 (0.51) CTRB1PTPN1PTPRBPTPN2MEN1
SCHEMBL29277132 0.79 PTPN1 (0.51) CTRB1PTPN1PTPRBPTPN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021060276-A1 FLUORINATING AGENT AND METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUNDS AGC株式会社 2021-04-01 WO disclosed
US-4138577-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138575-A 11-Deoxy-16-phenoxy-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138573-A 11-Deoxy-2,2-difluoro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4138576-A 11-Deoxy-2,2-difluoro-ω-aryl-PGF compounds THE UPJOHN COMPANY (US) 1979-02-06 US disclosed
US-4126754-A 11-Deoxy-cis-4,5-didehydro-ω-aryl-PGE compounds THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 US disclosed