Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL6248349

C=C(C)C(=O)OCC1CO1.C=CC=C.c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.78
▸ CYP3A4 P08684 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MGLL Q99685 4/20 0.41
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 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
Butadiene SCHEMBL8642792 0.95 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53MGLLCYP2D6
Benzene SCHEMBL28134170 0.94 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53MGLLCYP2D6
Benzene SCHEMBL7777595 0.94 ALDH1A1 (0.89) ALDH1A1CYP3A4TP53MGLLCYP2D6
Benzene SCHEMBL6248384 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4TP53MGLLTSHR
Styrene SCHEMBL27741754 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4MGLLCYP2D6TSHR
Styrene SCHEMBL29253162 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4MGLLCYP2D6TSHR
Acrylic Acid SCHEMBL28547922 0.89 ALDH1A1 (0.81) ALDH1A1CYP3A4TP53MGLLCYP2D6
Acrylic Acid SCHEMBL527679 0.89 ALDH1A1 (0.81) ALDH1A1CYP3A4TP53MGLLCYP2D6
Acrolein SCHEMBL4772414 0.89 ALDH1A1 (0.81) ALDH1A1CYP3A4TP53MGLLCYP2D6
Propene SCHEMBL195063 0.89 ALDH1A1 (0.86) ALDH1A1CYP3A4TP53MGLLCYP2D6

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-1135777-B1 PARTICLES DYNAL BIOTECH ASA (NO) 2005-08-03 — — EP disclosed
US-6787233-B1 Particles DYNAL BIOTECH ASA (NO) 2004-09-07 — — US disclosed