Benzene

Benzene

SCHEMBL9713962

CCOC1=C(OC)C(=O)c2ccccc2C1=O.c1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.69
ALDH1A1 P00352 9/20 0.69
KDM4E B2RXH2 7/20 0.69
POLB P06746 7/20 0.69
LMNA P02545 6/20 0.69
HPGD P15428 6/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
TDP1 Q9NUW8 5/20 0.69
RAB9A P51151 5/20 0.69
CDC25B P30305 4/20 0.69
CDC25A P30304 3/20 0.69
MAP2K7 O14733 1/20 0.69
GMNN O75496 1/20 0.69
TP53 P04637 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
ALOX15 P16050 1/20 0.69
CYP2C19 P33261 1/20 0.69

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
SCHEMBL3420371 0.90 CDC25B (0.60) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL29545010 0.83 MAPT (1.00) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL571557 0.83 MAPT (1.00) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL9627838 0.80 CDC25B (0.61) MAPTALDH1A1KDM4EPOLBLMNA
Benzene SCHEMBL9714013 0.79 NSD2 (0.58) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL9627536 0.78 CDC25B (0.53) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL9628254 0.78 MAPT (0.65) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL9641989 0.78 CDC25B (0.52) MAPTALDH1A1KDM4EPOLBLMNA
Benzene SCHEMBL9642799 0.78 TTR (0.56) MAPTALDH1A1KDM4EPOLBLMNA
SCHEMBL10446464 0.77 IDO1 (0.56) MAPTALDH1A1KDM4EPOLBLMNA

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed