SCHEMBL7674274

SCHEMBL7674274

CCCCCCC(OCC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.53
FFAR1 O14842 2/20 0.53
MAPT P10636 1/20 0.52
LCK P06239 1/20 0.52
PPARD Q03181 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
ACE2 Q9BYF1 1/20 0.48
CA2 P00918 1/20 0.46
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
CA1 P00915 2/20 0.44
ZDHHC7 Q9NXF8 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
SCHEMBL30775240 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28245824 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27706517 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28176068 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11531633 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8455146 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28766385 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3823038 1.00 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28741692 0.98 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL28245065 0.98 GPR84 (0.50) GPR84FFAR1MAPTLCKPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715822-A Specific substrates for ALDH isozymes 高级生物设计公司 2019-05-03 CN disclosed
US-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 US disclosed
US-4824865-A Treatment of skin disorders LEVER BROTHERS COMPANY (US) 1989-04-25 US disclosed
EP-0232982-A2 Treatment of skin disorders UNILEVER PLC (GB) 1987-08-19 EP disclosed