P-Xylene

P-Xylene

SCHEMBL4462544

C1CCSC1.Cc1ccc(C)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 3/20 0.35
ALOX12 P18054 1/20 0.35

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
P-Xylene SCHEMBL1272647 0.97 ACHE (0.47) ACHETDP1LMNAHPGDALDH1A1
P-Xylene SCHEMBL7998231 0.97 ACHE (0.47) ACHETDP1LMNAHPGDALDH1A1
Toluene SCHEMBL5328980 0.86 LMNA (0.58) ACHETDP1LMNAHPGDTSHR
Toluene SCHEMBL28096125 0.84 LMNA (0.55) ACHETDP1LMNAHPGDTSHR
Tetrahydrothiophene SCHEMBL18691957 0.81 ALDH1A1 (0.40) ACHELMNAHPGDALDH1A1TSHR
O-Xylene SCHEMBL27476428 0.77 TSHR (0.56) ACHETDP1LMNAHPGDALDH1A1
P-Xylene SCHEMBL28063776 0.75 ACHE (0.73) ACHETDP1LMNAALDH1A1CA1
P-Xylene SCHEMBL28317794 0.75 ACHE (0.73) ACHETDP1LMNAALDH1A1CA1
O-Xylene SCHEMBL28145513 0.75 TSHR (0.53) ACHETDP1LMNAHPGDALDH1A1
P-Xylene SCHEMBL10491491 0.72 ACHE (0.67) ACHETDP1LMNAALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US claimed
EP-2030265-A1 METHOD FOR PRODUCING A LAYER CONTAINING INORGANIC SEMICONDUCTOR PARTICLES, AND COMPONENTS COMPRISING SAID LAYER ISOVOLTA AG (AT) 2009-03-04 EP disclosed
WO-2007147182-A1 METHOD FOR PRODUCING A LAYER CONTAINING INORGANIC SEMICONDUCTOR PARTICLES, AND COMPONENTS COMPRISING SAID LAYER ISOVOLTA AG (AT) 2007-12-27 WO disclosed
US-5876865-A POLYARYLENEVINYLENE RESIN XEROX CORPORATION (US) 1999-03-02 US disclosed
US-5817430-A POLYARYLENEVINYLENE POLYMER XEROX CORPORATION (US) 1998-10-06 US disclosed