SCHEMBL7542790

SCHEMBL7542790

O=C(O)c1ccc2oc3ccc(OCCO)cc3c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSL1 P33121 2/20 0.59
ACSL6 Q9UKU0 2/20 0.59
TTR P02766 6/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
MEN1 O00255 1/20 0.57
TP53 P04637 1/20 0.57
CYP2C9 P11712 1/20 0.57
PTGER1 P34995 1/20 0.57
PTGER3 P43115 1/20 0.57
PTGER2 P43116 1/20 0.57
KMT2A Q03164 1/20 0.57
PTGDR Q13258 1/20 0.57
HSD17B10 Q99714 1/20 0.57
LTB4R Q15722 2/20 0.49
AKR1B1 P15121 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 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
SCHEMBL10452813 0.94 KDM4E (0.60) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10893810 0.94 ACSL1 (0.61) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL3111114 0.93 LMNA (0.51) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10453813 0.93 KDM4E (0.59) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10453814 0.93 KDM4E (0.59) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL9352912 0.90 ACSL1 (0.53) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10454273 0.88 ACSL1 (0.61) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10454185 0.87 KDM4E (0.56) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10454120 0.87 ACSL1 (0.60) ACSL1ACSL6TTRKDM4EALDH1A1
SCHEMBL10454119 0.87 ACSL1 (0.60) ACSL1ACSL6TTRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4626432-A 7-HYDROXY-OR ALKOXYXANTHONE-2-CARBOXYLIC ACID BURROUGHS WELLCOME CO. (US) 1986-12-02 US claimed
EP-0142303-A2 Pharmacologically active benzo - and dibenzo - pyrones and use THE WELLCOME FOUNDATION LIMITED (GB) 1985-05-22 EP claimed
EP-1203586-A2 Compositions comprising a mast cell degranulation-blocking agent for treatment of endogenous, painful gastrointestinal conditions of non-inflammatory, non-ulcerative origin. KOS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
EP-0618796-B1 ALLEVIATING OR PREVENTION OF MIGRAINE HEADACHE ONSET WITH MAST CELL DEGRANULATION BLOCKING AGENTS KOS PHARMA INC (US) 1999-05-06 EP disclosed
US-5648355-A MAST CELL DEGRANULATION-BLOCK AGENTS KOS PHARMACEUTICAL, INC. (US) 1997-07-15 US disclosed
EP-0748217-A1 COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN KOS PHARMACEUTICALS, INC. (US) 1996-12-18 EP disclosed
WO-1995021611-A2 COMPOSITIONS COMPRISING A MAST CELL DEGRANULATION-BLOCKING AGENT FOR TREATMENT OF ENDOGENOUS, PAINFUL GASTROINTESTINAL CONDITIONS OF NON-INFLAMMATORY, NON-ULCERATIVE ORIGIN KOS PHARMACEUTICALS, INC. (US) 1995-08-17 WO disclosed
US-5250529-A Administering during prodrome phase in absence of analgesic KOS PHARMACEUTICALS, INC. (US) 1993-10-05 US disclosed
US-4626432-A 7-HYDROXY-OR ALKOXYXANTHONE-2-CARBOXYLIC ACID BURROUGHS WELLCOME CO. (US) 1986-12-02 US disclosed
EP-0142303-A2 Pharmacologically active benzo - and dibenzo - pyrones and use THE WELLCOME FOUNDATION LIMITED (GB) 1985-05-22 EP disclosed
US-4282247-A ANTIANAPHYLACTIC, ANTIALLERGENIC CM INDUSTRIES (FR) 1981-08-04 US disclosed
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 US disclosed
US-4115567-A TREATMENT OF ALLERGIES CARLO ERBA S. P. A. (IT) 1978-09-19 US disclosed
US-4083953-A ANTIALLERGENS CARLO ERBA, S.P.A. (IT) 1978-04-11 US disclosed
US-4065467-A ANTIALLERGENS, ANTIULCER AGENTS, TREATMENT OF RESPIRATORY SYSTEM AND PULMONARY DISORDERS CARLO ERBA, S. P. A. (IT) 1977-12-27 US disclosed