Benzene

Benzene

SCHEMBL3700434

CC(=O)OC(C)=O.c1ccccc1.c1ccncc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 3/20 0.47
NAPRT Q6XQN6 3/20 0.47
HSD17B10 Q99714 2/20 0.38
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
APP P05067 1/20 0.33
GAA P10253 1/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PLOD2 O00469 1/20 0.31

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
Pyridine SCHEMBL7939106 1.00 ALDH1A1 (0.53) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL28342244 1.00 ALDH1A1 (0.53) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL3755683 1.00 ALDH1A1 (0.53) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL30127 1.00 ALDH1A1 (0.53) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL27529683 0.95 ALDH1A1 (0.48) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL6096884 0.91 ALDH1A1 (0.43) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL10666474 0.89 ALDH1A1 (0.42) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL28163753 0.87 TSHR (0.40) ALDH1A1TSHRTDP1NAPRTHSD17B10
Pyridine SCHEMBL186397 0.85 TSHR (0.39) ALDH1A1TSHRTDP1NAPRTKMT2A
Isobutyramide SCHEMBL6385556 0.85 TSHR (0.39) ALDH1A1TSHRTDP1NAPRTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2437107-B1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KK (JP) 2015-01-28 EP disclosed
US-8934075-B2 Liquid crystal display device comprising a P-type liquid crystal material and a first alignment layer having an anchoring energy SHARP KABUSHIKI KAISHA (JP) 2015-01-13 US disclosed
US-20120120363-A1 LIQUID CRYSTAL DISPLAY ELEMENT SHARP KABUSHIKI KAISHA (JP) 2012-05-17 US disclosed
US-20110310337-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2011-12-22 US disclosed
US-4921728-A ALIGNING FILM RICOH COMPANY, LTD. (JP) 1990-05-01 US disclosed
US-4705778-A LUTEINIZING HORMONE RELEASING HORMONE SRI INTERNATIONAL (US) 1987-11-10 US disclosed