SCHEMBL8178707

SCHEMBL8178707

CCCCCCC(C)Oc1ccc(C(=O)O)cc1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CREBBP Q92793 2/20 0.43
PTPN11 Q06124 1/20 0.43
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
PLA2G4B P0C869 1/20 0.41
PLA2G2D Q9UNK4 1/20 0.41

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
SCHEMBL8178705 1.00 ALDH1A1 (0.45) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8181774 0.91 PDE4A (0.51) ALDH1A1MEN1KMT2APTPN11PDE4A
SCHEMBL8181773 0.91 PDE4A (0.51) ALDH1A1MEN1KMT2APTPN11PDE4A
SCHEMBL8178709 0.83 CREBBP (0.60) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3184382 0.81 PTPN11 (0.55) ALDH1A1PTPN11
SCHEMBL7691383 0.81 LMNA (0.51) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL7691386 0.81 LMNA (0.51) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL8170140 0.81 ALDH1A1 (0.47) ALDH1A1HPGDSMN1; SMN2PTPN11TP53
SCHEMBL8636324 0.81 MAPT (0.53) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL8636321 0.81 MAPT (0.53) ALDH1A1HPGDPTPN11TP53TSHR

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-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed