SCHEMBL8989609

SCHEMBL8989609

CCC=CCCS(=O)(=O)CCC=CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP19A1 P11511 4/20 0.38
PPARG P37231 3/20 0.38
OXER1 Q8TDS5 3/20 0.38
MAPT P10636 3/20 0.38
RXRA P19793 2/20 0.38
FFAR1 O14842 2/20 0.38
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
PPARA Q07869 3/20 0.35
PTGS1 P23219 3/20 0.35
KMT2A Q03164 2/20 0.35
PPARD Q03181 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
NR1I2 O75469 2/20 0.33
PTGS2 P35354 2/20 0.33
FAAH O00519 2/20 0.33
TRPA1 O75762 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL11301760 1.00 ALDH1A1 (0.38) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL10978361 0.79 EPHX2 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL28134376 0.79 ALDH1A1 (0.35) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL14617949 0.77 ALDH1A1 (0.41) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL20376216 0.75 ALDH1A1 (0.33) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL22010383 0.75 ALDH1A1 (0.33) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL2363268 0.71 ALDH1A1 (0.43) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL19751288 0.71 ALDH1A1 (0.43) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL2363271 0.71 ALDH1A1 (0.43) ALDH1A1CYP19A1PPARGOXER1MAPT
SCHEMBL17520388 0.71 ALDH1A1 (0.33) ALDH1A1CYP19A1PPARGOXER1MAPT

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
EP-0530204-B1 DISPERSANT COMPOSITIONS FOR SUBTERRANEAN WELL DRILLING AND COMPLETION ATLANTIC RICHFIELD CO (US) 1996-07-17 EP claimed
JP-56039012-A None JP disclosed
JP-S5639012-A PREPARATION OF JASMONES TOYOTAMA KORYO KK 1981-04-14 JP disclosed