SCHEMBL4641850

SCHEMBL4641850

CC(=O)OC(=O)C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
KCNN4 O15554 2/20 0.46
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 3/20 0.38
CES1 P23141 1/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
NAPRT Q6XQN6 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL4641844 0.81 CYP1A2 (0.55) CYP1A2KCNN4MAPK1MAPTKMT2A
SCHEMBL4642200 0.80 KCNN4 (0.64) CYP1A2KCNN4MAPK1MAPTKMT2A
SCHEMBL2419456 0.80 KCNN4 (0.64) CYP1A2KCNN4MAPK1MAPTKMT2A
Phosphine SCHEMBL27280289 0.78 KCNN4 (0.62) CYP1A2KCNN4MAPK1MAPTKMT2A
SCHEMBL6469118 0.78 CHRM3 (0.47) KCNN4MAPTKMT2AALDH1A1CYP2C19
SCHEMBL2235170 0.78 MAPT (0.53) CYP1A2KCNN4MAPK1MAPTKMT2A
SCHEMBL28848759 0.78 KCNN4 (0.62) CYP1A2KCNN4MAPK1MAPTKMT2A
SCHEMBL27264055 0.78 CYP1A2 (0.61) CYP1A2KCNN4MAPK1MAPTKMT2A
SCHEMBL14655085 0.77 CYP1A2 (0.67) CYP1A2KCNN4MAPTKMT2ACNR1
SCHEMBL9676566 0.77 KCNN4 (0.46) CYP1A2KCNN4MAPK1MAPTKMT2A

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-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed