SCHEMBL10740470

SCHEMBL10740470

CCCCCCC#Cc1ccccc1OCCCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.46
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYSLTR2 Q9NS75 2/20 0.46
▸ CYSLTR1 Q9Y271 2/20 0.46
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ DHFR P00374 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.40

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
SCHEMBL10744806 0.87 CYSLTR2 (0.57) CYP3A4CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL10800365 0.80 CYSLTR2 (0.49) CYP3A4PPARGPPARACYP2C9CYP2C19
SCHEMBL10796510 0.78 CYP3A4 (0.45) CYP3A4PPARGPPARACYP2C9CYP2C19
SCHEMBL10804163 0.77 CYSLTR2 (0.49) CYP3A4PPARGPPARACYP2C9CYP2C19
SCHEMBL16308872 0.76 CYP4F2 (0.45) CYP3A4CYP2C9CYP2C19CYSLTR2CYSLTR1
SCHEMBL10794849 0.76 CYP3A4 (0.55) CYP3A4PPARGPPARACYP2C9CYP2C19
SCHEMBL2987183 0.74 CYP1A2 (0.58) CYP2C9CYP2C19CYSLTR2CYSLTR1MEN1
SCHEMBL10740501 0.74 CYP3A4 (0.48) CYP3A4PPARACYP2C9CYP2C19CYSLTR2
SCHEMBL14450970 0.73 PTPN7 (0.56) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL10795393 0.73 CYP3A4 (0.52) CYP3A4CYP2C9CYP2C19CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4713486-A ANTIALLERGENS BEECHAM GROUP P.L.C. (GB) 1987-12-15 — — US disclosed
EP-0109225-B1 ARACHIDONIC ACID ANALOGUES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN MEDICINE BEECHAM GROUP PLC (GB) 1985-08-28 — — EP disclosed
EP-0109225-A1 Arachidonic acid analogues, processes for their preparation and their use in medicine BEECHAM GROUP PLC (GB) 1984-05-23 — — EP disclosed
Send feedback