O-Xylene

O-Xylene

SCHEMBL17338002

Cc1ccccc1C.NP(N)(N)=O

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.62
ACHE P22303 2/20 0.62
MAPT P10636 1/20 0.46
HPGD P15428 2/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
ACP3 P15309 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
CD44 P16070 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MYC P01106 1/20 0.37

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
O-Xylene SCHEMBL30445238 0.81 TSHR (0.62) TSHRACHEHPGDALDH1A1CA1
O-Xylene SCHEMBL17255245 0.81 TSHR (0.62) TSHRACHEHPGDALDH1A1CA1
O-Xylene SCHEMBL27433024 0.81 TSHR (0.62) TSHRACHEMAPTHPGDCYP3A4
O-Xylene SCHEMBL29061119 0.81 TSHR (0.62) TSHRACHEHPGDALDH1A1CA1
O-Xylene SCHEMBL30374736 0.81 TSHR (0.62) TSHRACHEHPGDALDH1A1CA1
O-Xylene SCHEMBL11374292 0.81 TSHR (0.62) TSHRACHEMAPTHPGDCYP3A4
O-Xylene SCHEMBL1502379 0.81 TSHR (0.62) TSHRACHEHPGDALDH1A1CA1
O-Xylene SCHEMBL29498826 0.81 TSHR (0.62) TSHRACHEHPGDALDH1A1CA1
O-Xylene SCHEMBL27256493 0.79 TSHR (0.83) TSHRACHEMAPTCYP3A4TDP1
O-Xylene SCHEMBL16537456 0.79 TSHR (0.83) TSHRACHEMAPTCYP3A4TDP1

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
EP-3166638-A1 PAYLOAD-POLYMER-PROTEIN CONJUGATES Glykos Finland Oy (FI) 2017-05-17 EP disclosed
WO-2015189478-A1 PAYLOAD-POLYMER-PROTEIN CONJUGATES GLYKOS FINLAND OY (FI) 2015-12-17 WO disclosed