SCHEMBL11630587

SCHEMBL11630587

C=CC[C](C=C)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HMGB1 P09429 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
ACHE P22303 3/20 0.38
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.36
MEN1 O00255 2/20 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
SCHEMBL10628115 0.78 CES2 (0.42) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL1079613 0.78 CYP3A4 (0.41) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL5897517 0.77 HPGD (0.49) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL3803604 0.76 KDM4E (0.48) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL8908209 0.76 BCAT2 (0.43) ALDH1A1HPGDSMN1; SMN2HSD17B10TSHR
SCHEMBL8981613 0.76 CA9 (0.40) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL9014128 0.74 CA1 (0.39) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL4453043 0.74 ACHE (0.41) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL4453039 0.74 ACHE (0.41) CA1CA9KDM4EALDH1A1HPGD
SCHEMBL9013930 0.73 KDM4E (0.44) CA1CA9KDM4EALDH1A1HPGD

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
US-4069119-A Copper recovery by leaching and ion exchange CONTINENTAL OIL COMPANY (US) 1978-01-17 US claimed
US-4039405-A Leaching copper ores and solvent extraction of the copper-bearing solutions CONTINENTAL OIL COMPANY (US) 1977-08-02 US claimed
US-4039405-A Leaching copper ores and solvent extraction of the copper-bearing solutions CONTINENTAL OIL COMPANY (US) 1977-08-02 US disclosed