SCHEMBL7571476

SCHEMBL7571476

CCCCCOc1c(O)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.52
SLC2A1 P11166 1/20 0.49
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
CYP2C9 P11712 2/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.43
PAK1 Q13153 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43

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
SCHEMBL991491 0.90 KCNH2 (0.48) KCNH2SLC2A1CNR1CNR2CYP2C9
SCHEMBL28919607 0.84 KCNH2 (0.48) KCNH2SLC2A1CNR1CNR2CYP2C9
SCHEMBL7595465 0.83 ALOX5 (0.54) KCNH2SLC2A1CYP2C9GAATDP1
SCHEMBL38650914 0.82 KCNH2 (0.47) KCNH2SLC2A1CNR1CNR2CYP2C9
SCHEMBL12301187 0.82 SLC2A1 (0.47) KCNH2SLC2A1CNR1CNR2CYP2C9
SCHEMBL11196561 0.82 HTR1B (0.56) KCNH2SLC2A1CYP2C9GAATDP1
SCHEMBL4885527 0.81 IDO1 (0.54) KCNH2CYP2C9GAATDP1L3MBTL1
SCHEMBL17912887 0.81 GAA (0.56) KCNH2SLC2A1CNR1CNR2CYP2C9
SCHEMBL9485052 0.81 SLC2A1 (0.49) KCNH2SLC2A1CNR1CNR2CYP2C9
SCHEMBL28920259 0.81 GAA (0.56) KCNH2SLC2A1CNR1CNR2CYP2C9

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
JP-1157961-A None JP disclosed
EP-0713486-B1 PHOTOCHROMIC NAPHTHO(2,1-B)PYRANS PILKINGTON PLC (GB) 2002-07-17 EP disclosed
EP-0713486-A1 PHOTOCHROMIC NAPHTHO(2,1-B)PYRANS PILKINGTON PLC (GB) 1996-05-29 EP disclosed
US-5520853-A LIGHT SENSITIVE COMPOUNDS FOR POLYMERS OR CELLULOSE DERIVATIVES FOR LENSES PILKINGTON PLC (GB) 1996-05-28 US disclosed
WO-1995005371-A1 PHOTOCHROMIC NAPHTHO(2,1-B)PYRANS PILKINGTON PLC (GB) 1995-02-23 WO disclosed
JP-H01157961-A (6-(HETERO)ARYLOXY-NAPHTHALEN-2-YL-OXY)ALKANECARBOXYLIC ACID DERIVATIVE BAYER AG 1989-06-21 JP disclosed