SCHEMBL14610069

SCHEMBL14610069

CC(C)(C)OC(=O)NCCCN(Cc1ccc(F)cc1)C(=O)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.45
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ACKR3 P25106 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
NAMPT P43490 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
LPAR1 Q92633 1/20 0.39
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
DRD2 P14416 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL14610068 0.90 TDP1 (0.46) TDP1TSHRGAASIGMAR1TMEM97
SCHEMBL14609954 0.86 LMNA (0.48) POLBACKR3SIGMAR1TMEM97RAB9A
SCHEMBL5332700 0.84 TSHR (0.56) TDP1TSHRACKR3SIGMAR1TMEM97
SCHEMBL14609986 0.84 LMNA (0.42) POLBGAARAB9AKMT2ALPAR1
SCHEMBL14609953 0.81 TSHR (0.60) TDP1TSHRPOLBGAAKMT2A
SCHEMBL31687499 0.78 SIGMAR1 (0.58) TDP1POLBGAAACKR3SIGMAR1
SCHEMBL14610592 0.78 PARP1 (0.39) LPAR1
SCHEMBL31687548 0.76 ACKR3 (0.53) TDP1POLBGAAACKR3SIGMAR1
SCHEMBL3702941 0.76 NAMPT (0.61) TDP1POLBGAANAMPTCA1
SCHEMBL3437047 0.75 GAA (0.56) TDP1POLBGAASIGMAR1NAMPT

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
WO-2007017093-A1 SUBSTITUTED 2-BENZYLOXY-BENZOIC ACID AMIDE DERIVATIVES BAYER HEALTHCARE AG (DE) 2007-02-15 WO disclosed