Benzene

Benzene

SCHEMBL9487548

C1CCC(CC2CCCCO2)OC1.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL6646897 0.92 KMT2A (0.38) ALDH1A1LMNAHPGDTSHRKDM4E
SCHEMBL11365204 0.90 KMT2A (0.41) ALDH1A1LMNAHPGDTSHRKDM4E
SCHEMBL8588454 0.90 HPGD (0.40) ALDH1A1LMNAHPGDTSHRNPC1
SCHEMBL27607442 0.85 TSHR (0.36) ALDH1A1LMNAHPGDTSHRRAB9A
SCHEMBL1189847 0.84 ALDH1A1 (0.42) ALDH1A1LMNAHPGDTSHRKDM4E
SCHEMBL19193825 0.80 HPGD (0.42) ALDH1A1LMNAHPGDTSHR
SCHEMBL12817887 0.78 HPGD (0.44) ALDH1A1LMNAHPGDTSHRNPC1
SCHEMBL19193912 0.78 HPGD (0.41) ALDH1A1LMNAHPGDTSHR
SCHEMBL1260876 0.77
SCHEMBL8151949 0.76 EPHX1 (0.41) ALDH1A1LMNAHPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5260183-A Cyanine dye, thiocyanate, triazolopyrimidine spectral sensitizer FUJI PHOTO FILM CO., LTD. (JP) 1993-11-09 US disclosed