SCHEMBL2563115

SCHEMBL2563115

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MAPT P10636 1/20 0.41
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
APP P05067 1/20 0.38
PRF1 P14222 2/20 0.38
DHODH Q02127 1/20 0.38
P2RY14 Q15391 5/20 0.38
SRD5A2 P31213 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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 0.85 CYP2E1 (0.46) HDAC1HDAC6MAPTCYP2E1CYP3A4
SCHEMBL2552033 0.82 HCAR1 (0.41) HDAC1HDAC6MAPTCYP2E1CYP3A4
SCHEMBL2559036 0.80 CA12 (0.44) MAPTCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL16398737 0.80 CYP2E1 (0.42) RXRARXRBRXRGMAPTCYP2E1
SCHEMBL2553486 0.79 TPMT (0.46) RXRARXRBHDAC1HDAC6MAPT
SCHEMBL2554144 0.79 CYP2E1 (0.41) HDAC1HDAC6MAPTCYP2E1CYP3A4
SCHEMBL2557368 0.79 HDAC1 (0.57) RXRARXRBHDAC1HDAC6MAPT
SCHEMBL15331069 0.78 RXRA (0.49) RXRARXRBRXRGDHODHP2RY14
SCHEMBL13221507 0.77 PRF1 (0.57) HDAC1HDAC6MAPTCYP2E1CYP3A4
SCHEMBL15330929 0.76 CYP2E1 (0.49) RXRAHDAC6MAPTCYP2E1CYP3A4

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