SCHEMBL2552033

SCHEMBL2552033

O=Cc1ccc(-c2cc(F)cc(C(=O)O)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
APP P05067 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
ESR1 P03372 1/20 0.38
ESRRG P62508 1/20 0.38
PRF1 P14222 1/20 0.37
PTGER1 P34995 1/20 0.37
ERN1 O75460 1/20 0.36
DPP4 P27487 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL28936755 0.89 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559036 0.84 CA12 (0.44) HCAR1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2554144 0.82 CYP2E1 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2553486 0.82 TPMT (0.46) HCAR1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2563115 0.82 RXRA (0.47) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL15330929 0.79 CYP2E1 (0.49) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2557368 0.79 HDAC1 (0.57) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2561243 0.78 TP53 (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2015912 0.78 APP (0.54) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2561828 0.77 CYP2E1 (0.55) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed