SCHEMBL8178709

SCHEMBL8178709

CCCCCCCCOc1ccc(C(=O)O)cc1NC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.60
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
PTPN11 Q06124 2/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
PLA2G2D Q9UNK4 1/20 0.54
PLA2G4B P0C869 1/20 0.54
PLA2G2A P14555 1/20 0.51
RARB P10826 3/20 0.51

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
Sebacic Acid SCHEMBL7821806 0.94 CREBBP (0.55) CREBBPALDH1A1HPGDPTPN11MEN1
SCHEMBL8181779 0.91 PTPN11 (0.68) CREBBPALDH1A1HPGDPTPN11MEN1
SCHEMBL11582978 0.85 EPHX1 (0.52) SMN1; SMN2TP53TSHR
SCHEMBL8484560 0.85 EPHX1 (0.52) SMN1; SMN2TP53TSHR
SCHEMBL14625062 0.85 GAA (0.59) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL7821811 0.84 CREBBP (0.45) CREBBPALDH1A1HPGDPTPN11MEN1
SCHEMBL8178705 0.83 ALDH1A1 (0.45) CREBBPALDH1A1HPGDPTPN11MEN1
SCHEMBL8178707 0.83 ALDH1A1 (0.45) CREBBPALDH1A1HPGDPTPN11MEN1
SCHEMBL2308150 0.83 ALDH1A1 (0.61) CREBBPALDH1A1HPGDPTPN11TP53
SCHEMBL1199847 0.81 ALDH1A1 (0.69) 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