SCHEMBL8629299

SCHEMBL8629299

CCCCCCCCC1CCC(O[C]=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 5/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX1 P07099 1/20 0.36
NAAA Q02083 3/20 0.36
LSS P48449 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8629303 1.00 HTT (0.40) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL8631589 0.93 CYP1A2 (0.47) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL8631586 0.93 CYP1A2 (0.47) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL5807045 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL6031279 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL3002424 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL6749100 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL1847927 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL997470 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53
SCHEMBL6753110 0.78 CYP1A2 (0.59) HTTMEN1KMT2ACYP1A2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5762824-A VISUAL AIDS WITH QUINOPHTHALONE PIGMENTS WITH DIELECTRIC ANISOTROPY CHISSO CORPORATION (JP) 1998-06-09 US disclosed