SCHEMBL7599423

SCHEMBL7599423

C=C(C)C(=O)CCOC(=O)c1c(O)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA7 P43166 5/20 0.45
CA9 Q16790 5/20 0.45
CA14 Q9ULX7 5/20 0.45
PRKCG P05129 5/20 0.42
PRKCB P05771 5/20 0.42
PRKCA P17252 5/20 0.42
PRKCE Q02156 5/20 0.42
PRKCD Q05655 5/20 0.42
PRKCH P24723 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
SLC37A4 O43826 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
THRB P10828 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL30414145 0.82 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3873330 0.82 ALDH1A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL4577166 0.81 PRKCG (0.47) CA12CA1CA2CA7CA9
SCHEMBL11202741 0.79 TSHR (0.41) TDP1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3873329 0.78 ALDH1A1 (0.58) TDP1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9359792 0.76 ALDH1A1 (0.35) TDP1ALDH1A1
SCHEMBL28483500 0.73 CDC25A (0.40) CA12CA1CA2CA7CA9
SCHEMBL6536423 0.72 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL24199837 0.72 TSHR (0.49) CA12CA1CA2CA7CA9
SCHEMBL19709542 0.72 CA1 (0.74) CA12CA1CA2CA7CA9

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
US-20020022194-A1 Photosensitive resin composition and photoresist ink for manufacturing printed wiring boards GOO CHEMICAL CO., LTD. 2002-02-21 US disclosed
US-6322952-B1 REACTION PRODUCT OF A VINYL ALCOHOL POLYMER WITH A STYRYLPYRIDINIUM OR STYRENEQUINOLINIUM COMPOUND OR WITH A HYDROXYALKYL(METH)ACRYLAMIDE; POLYUNSATURATEDD CARBOXYL GROUP CONTAINING PREPOLYMER; PHOTOINITIATOR; WATER GOO CHEMICAL CO., LTD. (JP) 2001-11-27 US disclosed