SCHEMBL9973054

SCHEMBL9973054

CCCC(C)C1CCC(c2ccc(OC(=O)c3ccc(C)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 3/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IDO1 P14902 1/20 0.39
CYP2C9 P11712 1/20 0.38
POLB P06746 2/20 0.38
GBA1 P04062 1/20 0.38
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL9973064 0.91 ALDH1A1 (0.41) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL9973041 0.88 MAPT (0.41) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL9973034 0.88 MAPT (0.41) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL9973022 0.88 MAPT (0.41) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL11408378 0.81 CYP2C9 (0.60) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL11412500 0.81 CYP2C9 (0.60) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL11410805 0.81 PRSS1 (0.46) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL11405566 0.81 PRSS1 (0.46) MAPTALDH1A1PRSS1ACRSMN1; SMN2
SCHEMBL9973040 0.80 SLC6A2 (0.43) MAPTALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL11409703 0.80 PRSS1 (0.41) MAPTALDH1A1PRSS1ACRSMN1; SMN2

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
WO-2012082383-A1 PHOTOCHROMIC COMPOUNDS AND COMPOSITIONS TRANSITIONS OPTICAL, INC. (US) 2012-06-21 WO disclosed
US-20110279883-A1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL, INC. (US) 2011-11-17 US disclosed