SCHEMBL9849845

SCHEMBL9849845

Cc1ccc2c(c1C(=O)OCc1ccc(COC(=O)c3c(C)ccc4c3Cc3ccccc3O4)cc1)Cc1ccccc1O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.43
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
P2RX1 P51575 1/20 0.38
P2RX3 P56373 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL9849719 0.87 P2RX4 (0.39) P2RX4MAOAMAOBP2RX1P2RX3
SCHEMBL9849817 0.84 P2RX4 (0.37) P2RX4MAOAMAOBP2RX1P2RX3
SCHEMBL9849388 0.82 TDP1 (0.39) P2RX4MAOAMAOBP2RX1P2RX3
SCHEMBL8006895 0.81 P2RX1 (0.40) P2RX4P2RX1P2RX3ALDH1A1KMT2A
SCHEMBL1672256 0.79 MAOA (0.47) MAOAMAOBALDH1A1KMT2ARAB9A
SCHEMBL28399575 0.78 MAOA (0.46) P2RX4MAOAMAOBALDH1A1KMT2A
SCHEMBL3071594 0.78 ALDH1A1 (0.51) P2RX4MAOAMAOBP2RX1P2RX3
SCHEMBL11826523 0.77 MAOA (0.44) MAOAMAOBALDH1A1KMT2ANPC1
SCHEMBL672719 0.77 MAOA (0.44) MAOAMAOBALDH1A1KMT2ANPC1
Potassium Ion SCHEMBL3888005 0.77 MAOA (0.44) MAOAMAOBALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450492-A1 Alkylxanthate, production thereof, photopolymerization initiator, and polymerization employing the same Tosoh Corporation (JP) 1991-10-09 EP disclosed