SCHEMBL102870

SCHEMBL102870

C=Cc1ccc(Oc2ccc(CC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 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
SCHEMBL13839990 0.91 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL15915 0.87 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
Ethylene SCHEMBL28003592 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
Arsenic SCHEMBL28835563 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL104023 0.85 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL10031844 0.83 TUBB1 (0.53) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL20024732 0.83 TUBB1 (0.53) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL10226406 0.83 RXRA (0.54) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL296908 0.82 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1MAPTLMNACHRNB2
SCHEMBL8925998 0.82 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPTLMNAHPGD

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
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed