SCHEMBL9580307

SCHEMBL9580307

COc1ccc2cc(CC(=O)Cl)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.73
AKR1C3 P42330 1/20 0.73
AKR1C2 P52895 1/20 0.73
LMNA P02545 3/20 0.59
CYP1A2 P05177 3/20 0.59
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAOA P21397 1/20 0.59
SLC6A2 P23975 1/20 0.59
RAB9A P51151 1/20 0.59
SLC6A3 Q01959 1/20 0.59
PTGS2 P35354 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC2A1 P11166 1/20 0.49
HTT P42858 2/20 0.47

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
Methane SCHEMBL7682688 0.98 AKR1C3 (0.71) PTGS1AKR1C3AKR1C2LMNACYP1A2
SCHEMBL15714152 0.86 AKR1C3 (0.73) PTGS1AKR1C3AKR1C2LMNACYP1A2
SCHEMBL21617913 0.85 AKR1C3 (0.48) PTGS1AKR1C3AKR1C2LMNACYP1A2
SCHEMBL11281357 0.85 PTGS1 (0.53) PTGS1AKR1C3AKR1C2LMNACYP1A2
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.84 AKR1C3 (1.00) PTGS1AKR1C3AKR1C2LMNACYP1A2
SCHEMBL10536961 0.84 AKR1C3 (0.75) PTGS1AKR1C3AKR1C2LMNACYP1A2
SCHEMBL226124 0.83 HTT (0.63) LMNAKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL6480428 0.83 CYP1A2 (0.74) PTGS1AKR1C3AKR1C2LMNACYP1A2
6-Methoxy-2-Naphthylacetic Acid SCHEMBL503709 0.83 PTGS1 (0.97) PTGS1AKR1C3AKR1C2LMNACYP1A2
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504321 0.83 PTGS1 (0.73) PTGS1AKR1C3AKR1C2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145993-A Process for preparing D-2-(6-methoxy-2-naphthyl)-propionic acid and intermediate thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-09-08 US claimed
EP-0011925-B1 NAPHTHALENE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN ANTI-INFLAMMATORY PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1982-09-22 EP claimed
EP-0011925-A1 Naphthalene derivatives, a process for their preparation and their use in anti-inflammatory pharmaceutical compositions BEECHAM GROUP PLC (GB) 1980-06-11 EP claimed
US-5179208-A Analgesics KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-01-12 US disclosed
US-5179208-A Analgesics KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1993-01-12 US disclosed
US-5145993-A Process for preparing D-2-(6-methoxy-2-naphthyl)-propionic acid and intermediate thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-09-08 US disclosed
US-5145993-A Process for preparing D-2-(6-methoxy-2-naphthyl)-propionic acid and intermediate thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1992-09-08 US disclosed
US-4327022-A Heterocyclic alkyl naphthols STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4169108-A 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols STERLING DRUG INC. (US) 1979-09-25 US disclosed
US-4073936-A Hypolipidemic allene carboxylic esters SANDOZ, INC. (US) 1978-02-14 US disclosed
US-4028366-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-06-07 US disclosed
US-4011339-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1977-03-08 US disclosed
US-4005093-A ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1977-01-25 US disclosed