SCHEMBL22911554

SCHEMBL22911554

Cc1cc(C)c(O)c(C(=O)Nc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.51
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
POLB P06746 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
DEGS1 O15121 1/20 0.50
DHODH Q02127 1/20 0.50
ABCC1 P33527 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTPN1 P18031 1/20 0.49
PLAU P00749 4/20 0.48

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
SCHEMBL22911505 0.82 NPC1 (0.61) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL12700350 0.78 ALDH1A1 (0.58) SMORAB9AMEN1KMT2ANPC1
SCHEMBL24860928 0.78 CYP3A4 (0.52) SMORAB9AMEN1KMT2ANPC1
SCHEMBL21579436 0.74 SMO (0.51) SMOMEN1KMT2APOLBHTT
SCHEMBL14363351 0.74 KMT2A (0.56) RAB9AMEN1KMT2ANPC1POLB
SCHEMBL18132360 0.73 SMO (0.60) SMOMEN1KMT2APOLBSMN1; SMN2
SCHEMBL15928756 0.73 ALDH1A1 (0.72) SMOMEN1KMT2APOLBHPGD
SCHEMBL14112955 0.72 HPGD (0.69) RAB9AMEN1KMT2ANPC1LMNA
SCHEMBL7764478 0.72 HPGD (0.74) MEN1KMT2ALMNATP53HTT
SCHEMBL10282271 0.72 NPC1 (0.80) RAB9AMEN1KMT2ANPC1POLB

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
EP-3484481-B1 METHODS FOR USE IN THE TREATMENT OF CLOSTRIDIUM DIFFICILE SCRIPPS RESEARCH INST (US) 2021-01-20 EP disclosed