SCHEMBL11005383

SCHEMBL11005383

CCCCCCCC1(C)Oc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 1/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 4/20 0.39
MMP3 P08254 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 4/20 0.39
ALOX12 P18054 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11004077 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL11005871 1.00 ALDH1A1 (0.39) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL11004277 0.98 ALDH1A1 (0.40) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL11003680 0.92 KMT2A (0.44) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL11009667 0.80 TP53 (0.41) ALDH1A1KMT2ACYP3A4MEN1MAPT
SCHEMBL13022946 0.78 KMT2A (0.31) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL9428200 0.74 MAPT (0.35) ALDH1A1KMT2ACYP1A2CYP3A4HPGD
SCHEMBL11005275 0.73 ALOX5 (0.40) ALDH1A1KMT2AHPGDPOLBMEN1
SCHEMBL27732355 0.73 MMP2 (0.36) ALDH1A1KMT2ACYP2C19MMP2MMP9
SCHEMBL11005060 0.72 HTT (0.33) ALDH1A1POLBMAPTKDM4EHTT

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-4499115-A FOR FOODS UNISEARCH LIMITED (AU) 1985-02-12 US disclosed