SCHEMBL9348591

SCHEMBL9348591

C[C@H]1CC[C@H](C2CCC(c3ccc(Oc4ccc(N)cc4)cc3)(c3ccc(Oc4ccc(N)cc4)cc3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TEAD4 Q15561 1/20 0.40
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MAOA P21397 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9352207 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL6366555 1.00 ALDH1A1 (0.42) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL1305916 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL6367109 0.91 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP19A1
SCHEMBL6367112 0.91 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP19A1
SCHEMBL9348631 0.87 MAOB (0.45) ALDH1A1CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL9348636 0.87 MAOB (0.45) ALDH1A1CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL9348875 0.87 MAOB (0.45) ALDH1A1CYP3A4MAPTPOLBSMN1; SMN2
SCHEMBL6362314 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1TDP1CYP3A4TSHR
SCHEMBL9352739 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1TDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0389092-B1 Liquid crystal-aligning coating and liquid crystal element CHISSO CORP (JP) 1994-09-07 EP disclosed
US-5152918-A Cyclohexyl aromatic polyimides; controlling pretilt angle CHISSO CORPORATION (JP) 1992-10-06 US disclosed