SCHEMBL22166808

SCHEMBL22166808

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ATM Q13315 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ELANE P08246 1/20 0.48
HPGD P15428 4/20 0.47
GSK3B P49841 1/20 0.44
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F3 P13726 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL3356934 0.89 THRB (0.54) THRBATMNPC1RAB9AALDH1A1
SCHEMBL3356939 0.89 THRB (0.54) THRBATMNPC1RAB9AALDH1A1
SCHEMBL3357022 0.89 THRB (0.53) THRBATMNPC1RAB9AALDH1A1
SCHEMBL3357029 0.89 THRB (0.53) THRBATMNPC1RAB9AALDH1A1
SCHEMBL3357006 0.88 THRB (0.49) THRBATMNPC1RAB9AALDH1A1
SCHEMBL3357001 0.88 THRB (0.49) THRBATMNPC1RAB9AALDH1A1
SCHEMBL18410068 0.86 THRB (0.49) THRBATMNPC1RAB9AALDH1A1
SCHEMBL18410065 0.86 KMT2A (0.60) THRBATMALDH1A1SMN1; SMN2HTT
SCHEMBL22166807 0.85 THRB (0.49) THRBATMNPC1RAB9AALDH1A1
SCHEMBL3358696 0.84 THRB (0.48) THRBATMNPC1RAB9AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210340330-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2021-11-04 US disclosed
US-20200223984-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2020-07-16 US disclosed
US-10696795-B2 Photoaligning materials Rolic Technologies AG (CH) 2020-06-30 US disclosed