SCHEMBL2555873

SCHEMBL2555873

Cc1cc(C=O)cc(C)c1OC(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
SRC P12931 1/20 0.49
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARA Q07869 5/20 0.37
PPARD Q03181 1/20 0.37
PPARG P37231 1/20 0.36
ALDH1A3 P47895 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
SCHEMBL2559228 0.85 SRC (0.47) TDP1SRCTSHRHTR2AHTR2C
SCHEMBL2557315 0.82 SRC (0.45) TDP1SRCKMT2AALDH1A3SMN1; SMN2
SCHEMBL15122376 0.82 TDP1 (0.55) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL14989117 0.82 TDP1 (0.55) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL14988796 0.82 TDP1 (0.55) TDP1TSHRHTR2AHTR2CHTR2B
SCHEMBL2557044 0.81 TSHR (0.43) TDP1SRCTSHRHTR2AHTR2C
SCHEMBL12966660 0.81 ALDH1A1 (0.43) TDP1SRCTSHRHTR2AHTR2C
SCHEMBL2556545 0.81 SRC (0.44) TDP1SRCALDH1A1KDM4EHPGD
SCHEMBL2559846 0.80 KMT2A (0.50) TDP1TSHRHTR2CALDH1A1KDM4E
SCHEMBL2006167 0.80 SRC (0.52) SRCTSHRALDH1A1KDM4EHPGD

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