SCHEMBL6909828

SCHEMBL6909828

BrCc1ccccc1-c1cccc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.52
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
PAX8 Q06710 1/20 0.39
CYP2D6 P10635 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
THRB P10828 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3101185 0.90 CYP1A2 (0.45) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL31517086 0.90 CYP1A2 (0.45) ALDH1A1HSD17B10TDP1CYP2A6TSHR
SCHEMBL2589728 0.86 HPRT1 (0.58) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL3150700 0.83 ALDH1A1 (0.46) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29769915 0.82 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL593261 0.82 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29445992 0.82 HPRT1 (0.78) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL9466042 0.81 CYP1A2 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30021848 0.80 HPRT1 (0.74) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL30103588 0.80 HPRT1 (0.74) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6787618-B1 TRANSPARENT, STIFF MOLDING MATERIALS; IMPACT TOUGHNESS; FOOD PACKAGING BASELL POLYPROPYLEN GMBH (DE) 2004-09-07 US disclosed
US-6057408-A CATALYTIC ADDITION COPOLYMERIZATION OF PROPYLENE WITH ETHYLENE OR OLEFIN TARGOR GMBH (DE) 2000-05-02 US disclosed