SCHEMBL2849271

SCHEMBL2849271

Clc1cccc2ccc3c4ccc5ccccc5c4ccc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.60
▸ ALDH1A1 P00352 4/20 0.60
▸ HSD17B10 Q99714 4/20 0.60
▸ THRB P10828 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ HPRT1 P00492 3/20 0.58
▸ CYP2A6 P11509 4/20 0.58
▸ ERBB2 P04626 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ AHR P35869 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ APEX1 P27695 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ PMP22 Q01453 1/20 0.48

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
SCHEMBL17841962 1.00 CYP1A2 (0.60) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL3787526 0.89 CYP1A2 (0.65) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL5615235 0.89 CYP1A2 (0.52) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL3710185 0.85 CYP2A6 (0.73) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL476875 0.85 CYP2A6 (0.73) CYP1A2ALDH1A1HSD17B10THRBHPGD
Benzo[E]Pyrene SCHEMBL9998154 0.84 HSD17B10 (0.84) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL2233815 0.84 HSD17B10 (0.75) CYP1A2ALDH1A1HSD17B10THRBHPGD
Chrysene SCHEMBL18546560 0.84 HSD17B10 (0.75) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL17841964 0.83 HPRT1 (0.58) CYP1A2ALDH1A1HSD17B10THRBHPGD
SCHEMBL22211948 0.83 CYP1A2 (0.64) CYP1A2ALDH1A1HSD17B10THRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142242-A2 CATHETER HAVING INTERNAL MECHANISMS TO ENCOURAGE BALLOON RE-FOLDING Boston Scientific Limited (BB) 2010-01-13 — — EP disclosed
WO-2008124480-A2 CATHETER HAVING INTERNAL MECHANISMS TO ENCOURAGE BALLOON RE-FOLDING BOSTON SCIENTIFIC LIMITED (BB) 2008-10-16 — — WO disclosed
EP-1329225-A2 Transdermal device containing polyvinylpyrrolidone as solubility enhancer NOVEN PHARMACEUTICALS, INC. (US) 2003-07-23 — — EP disclosed
EP-0737066-B1 TRANSDERMAL DEVICE CONTAINING POLYVINYLPYRROLIDONE AS SOLUBILITY ENHANCER NOVEN PHARMA (US) 2003-04-02 — — EP disclosed
EP-0737066-A1 TRANSDERMAL DEVICE CONTAINING POLYVINYLPYRROLIDONE AS SOLUBILITY ENHANCER NOVEN PHARMACEUTICALS, INC. (US) 1996-10-16 — — EP disclosed
WO-1995018603-A1 TRANSDERMAL DEVICE CONTAINING POLYVINYLPYRROLIDONE AS SOLUBILITY ENHANCER NOVEN PHARMACEUTICALS, INC. (US) 1995-07-13 — — WO disclosed
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