SCHEMBL8065519

SCHEMBL8065519

CCCCOC(C)C=C(C=C(C)C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 3/20 0.36
ALDH1A1 P00352 1/20 0.34
FAAH O00519 1/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
ESR1 P03372 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
NR1H2 P55055 1/20 0.30
RNASEL Q05823 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL125263 0.85 ALDH1A1 (0.39) ATMHCAR2ALDH1A1FAAHTSHR
SCHEMBL3019219 0.85 ALDH1A1 (0.39) ATMHCAR2ALDH1A1FAAHTSHR
SCHEMBL8073488 0.84
SCHEMBL5830406 0.81 HCAR2 (0.39) HCAR2ALDH1A1TSHR
SCHEMBL15674638 0.80 CES2 (0.41) HCAR2TSHR
SCHEMBL2376486 0.75 HCAR2 (0.33) HCAR2
SCHEMBL2119584 0.73 ALDH1A1 (0.37) ATMHCAR2ALDH1A1FAAHTSHR
SCHEMBL465991 0.71 ALDH1A1 (0.38) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL465992 0.71 ALDH1A1 (0.38) ATMHCAR2ALDH1A1TSHRHPGD
SCHEMBL1275028 0.71 POLB (0.36) ATMHCAR2SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689098-B1 Positive working photoresist CIBA SC HOLDING AG (CH) 2000-08-16 EP disclosed
EP-0689098-A1 Positive working photoresist CIBA-GEIGY AG (CH) 1995-12-27 EP disclosed