SCHEMBL29950895

SCHEMBL29950895

CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
CCR2 P41597 6/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP17A1 P05093 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
CFTR P13569 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
SCHEMBL6755112 1.00 RXFP1 (0.51) RXFP1CCR2MEN1KMT2AMAPT
SCHEMBL29953129 0.89 RXFP1 (0.51) RXFP1CCR2MEN1KMT2AMAPT
SCHEMBL29954656 0.85 KCNQ4 (0.46) RXFP1LMNAPOLBHTTCYP17A1
SCHEMBL3292146 0.83 HPGD (0.46) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL29956441 0.83 HPGD (0.46) RXFP1MEN1KMT2AMAPTLMNA
SCHEMBL7667607 0.83 RXFP1 (0.55) RXFP1CCR2MEN1KMT2AMAPT
SCHEMBL29803307 0.83 RXFP1 (0.55) RXFP1CCR2MEN1KMT2AMAPT
SCHEMBL6094043 0.82 TACR1 (0.42) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4439565 0.82 RXFP1 (0.54) RXFP1CCR2MEN1KMT2AMAPT
SCHEMBL5425869 0.82 CA12 (0.49) RXFP1CYP17A1

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 1 patent. 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