Chrysene

Chrysene

SCHEMBL8740435

C1CCOC1.c1ccc2c(c1)ccc1c3ccccc3ccc21

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.64
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP2A6 P11509 1/20 0.55
TSHR P16473 1/20 0.55
PAX8 Q06710 1/20 0.46
HIF1A Q16665 1/20 0.46
CYP1B1 Q16678 1/20 0.46
PRKDC P78527 4/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
Tetrahydrofuran SCHEMBL27896507 0.83 HPRT1 (0.44) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27467822 0.82 HPRT1 (0.42) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Naphthalene SCHEMBL10617947 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL31177955 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL9786466 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL25510 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL384031 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL30433768 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL29792076 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Chrysene SCHEMBL29355502 0.80 HPRT1 (1.00) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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
EP-0705221-A4 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES INC (US) 1997-01-22 EP disclosed
EP-0705221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INCORPORATED (US) 1996-04-10 EP disclosed
WO-1994029221-A1 METHOD AND APPARATUS FOR PHOTOCHEMICALLY OXIDIZING GASEOUS ORGANIC COMPOUNDS PROCESS TECHNOLOGIES, INC. (US) 1994-12-22 WO disclosed