SCHEMBL7041445

SCHEMBL7041445

COc1ccc(C2C(=O)C(=O)C2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
PTGS2 P35354 1/20 0.49
ALDH1A1 P00352 3/20 0.46
EDNRA P25101 2/20 0.44
EDNRB P24530 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KDM1A O60341 2/20 0.40
LMNA P02545 1/20 0.40
AGTR1 P30556 1/20 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
SCHEMBL10844446 0.77 ALDH1A1 (0.62) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL6758446 0.77 SMN1; SMN2 (0.49) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL10967159 0.71 ALDH1A1 (0.75) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL19337473 0.69 ALDH1A1 (0.54) MAOAHPGDNPC1MAPTRAB9A
Chloranil SCHEMBL11359754 0.68 CA1 (0.58) HPGDMAPTRAB9ATP53ALDH1A1
SCHEMBL24516488 0.67 EDNRA (0.45) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL16877086 0.66 CYP19A1 (0.46) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL18148757 0.66 CYP19A1 (0.46) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL16877182 0.66 CYP19A1 (0.46) MAOAHPGDNPC1MAPTRAB9A
SCHEMBL4554673 0.65 KDM1A (0.64) MAOANPC1MAPTRAB9ACA12

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
US-20040232813-A1 Electronic display-use filter and electronic display unit using the filter MITSUBISHI CHEMICAL CORPORATION (JP) 2004-11-25 US disclosed