SCHEMBL7249684

SCHEMBL7249684

O=C(O)Cc1cc(F)c(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.41
AKR1B1 P15121 2/20 0.39
TSHR P16473 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
MCL1 Q07820 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL30428405 1.00 CXCL8 (0.41) CXCL8AKR1B1TSHRCES2CES1
SCHEMBL6864467 0.84 CES2 (0.39) CES2CES1CA1CA2CA4
SCHEMBL11035311 0.83 CA1 (0.38) CES2CES1CA1CA2CA4
SCHEMBL15092154 0.83 AKR1B1 (0.41) CXCL8AKR1B1TSHRCES2CES1
SCHEMBL28725225 0.83 CES2 (0.38) CES2CES1CA1CA2CA4
SCHEMBL23273525 0.82 CXCL8 (0.38) CXCL8AKR1B1TSHRMEN1POLB
SCHEMBL29737965 0.82 CXCL8 (0.38) CXCL8AKR1B1TSHRMEN1POLB
SCHEMBL3416130 0.82 PTGS1 (0.44) CXCL8TSHRMEN1POLBKMT2A
SCHEMBL5062588 0.82 PTGS1 (0.40) CXCL8TSHRMEN1POLBKMT2A
SCHEMBL1415207 0.82 PTGS1 (0.40) CXCL8AKR1B1TSHRHDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118610580-A Lithium ion battery electrolyte and lithium ion battery 孚能科技(赣州)股份有限公司 2024-09-06 CN claimed
CN-118610580-A Lithium ion battery electrolyte and lithium ion battery 孚能科技(赣州)股份有限公司 2024-09-06 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed
US-6528517-B1 Solid phase synthesis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-03-04 US disclosed
WO-1999040093-A2 SYNTHESIS OF QUINOBENZOXAZINE ANALOGUES WITH TOPOISOMERASE II AND QUADRUPLEX INTERACTIONS FOR USE AS ANTINEOPLASTIC AGENTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-08-12 WO disclosed