SCHEMBL22166807

SCHEMBL22166807

COC(O)C1CCC(C(=O)Oc2ccc(/C=C/C(=O)O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
ELANE P08246 2/20 0.42
HPGD P15428 5/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.39
GAA P10253 1/20 0.39
SRD5A2 P31213 1/20 0.38
F3 P13726 1/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 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
SCHEMBL22166808 0.85 THRB (0.56) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3356939 0.83 THRB (0.54) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3356934 0.83 THRB (0.54) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3357022 0.82 THRB (0.53) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3357029 0.82 THRB (0.53) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL18410068 0.80 THRB (0.49) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL18410065 0.79 KMT2A (0.60) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3357006 0.79 THRB (0.49) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3357001 0.79 THRB (0.49) THRBATMSMN1; SMN2HTTKMT2A
SCHEMBL3358696 0.78 THRB (0.48) THRBATMSMN1; SMN2HTTKMT2A

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-10696795-B2 Photoaligning materials Rolic Technologies AG (CH) 2020-06-30 US disclosed