SCHEMBL13220102

SCHEMBL13220102

C1=C(c2ccccc2)C(c2ccccc2)Oc2ccc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 3/20 0.39
APP P05067 1/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP1A1 P04798 3/20 0.33
CYP1B1 Q16678 3/20 0.33
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 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
SCHEMBL4410027 0.75 LMNA (0.33) ALDH1A1KDM4EMAPK1LMNACFTR
SCHEMBL6221726 0.71 ADK (0.36) ALDH1A1KDM4EMAPK1LMNACYP19A1
SCHEMBL21336107 0.70 APP (0.35) APPCA12CA9SIRT2
SCHEMBL1697379 0.67 KMT2A (0.51) ALDH1A1KDM4EMAPK1LMNACFTR
SCHEMBL8685254 0.66 APP (0.40) ALDH1A1KDM4EMAPK1LMNACYP19A1
SCHEMBL28351952 0.66 ALDH1A1 (0.35) ALDH1A1KDM4EMAPK1LMNACYP19A1
SCHEMBL28636056 0.65 NPSR1 (0.47) ALDH1A1KDM4EMAPK1LMNANPSR1
SCHEMBL16376663 0.64 PGR (0.47) ALDH1A1KDM4EMAPK1LMNACYP19A1
SCHEMBL28888143 0.62 CA12 (0.46) ALDH1A1KDM4ELMNACA12CA9
Phenanthrene SCHEMBL29177895 0.60 ALDH1A1 (0.75) ALDH1A1LMNACYP1A2CYP1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100214373-A1 AUTHENTICATING A PRODUCT AUTHENTIX, INC. (US) 2010-08-26 US disclosed
US-20100214373-A1 AUTHENTICATING A PRODUCT AUTHENTIX, INC. (US) 2010-08-26 US disclosed
WO-2009017506-A2 AUTHENTICATING A PRODUCT AUTHENTIX, INC. (US) 2009-02-05 WO disclosed