SCHEMBL3088950

SCHEMBL3088950

CCCC(O)Cl.CCCOC(=O)c1ccc(O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ ESR1 P03372 3/20 0.49
▸ TDP1 Q9NUW8 3/20 0.49
▸ TSHR P16473 2/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA7 P43166 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ CA14 Q9ULX7 3/20 0.47
▸ SERPINE1 P05121 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL541885 0.88 ESR1 (0.62) ALDH1A1ESR1TDP1TSHRCHRM1
Propylparaben SCHEMBL276143 0.82 ESR1 (0.73) ALDH1A1ESR1TDP1TSHRCHRM1
SCHEMBL3451817 0.79 TSHR (0.64) ALDH1A1ESR1TDP1TSHRCHRM1
SCHEMBL3088949 0.79 TSHR (0.48) ALDH1A1ESR1TDP1TSHRCHRM1
SCHEMBL1656743 0.77 CA12 (0.74) ALDH1A1ESR1TDP1TSHRCA12
SCHEMBL27659926 0.77 TSHR (0.60) ALDH1A1ESR1TSHRCA12CA1
SCHEMBL11635759 0.76 SERPINE1 (0.57) ALDH1A1ESR1TDP1TSHRCHRM1
SCHEMBL10569979 0.76 ALDH1A1 (0.65) ALDH1A1ESR1TDP1TSHRCHRM1
SCHEMBL11149829 0.75 ESR1 (0.61) ALDH1A1ESR1TDP1TSHRCHRM1
SCHEMBL10487722 0.75 ALDH1A1 (0.54) ALDH1A1ESR1TDP1TSHRCHRM1

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-7803906-B2 Composition comprising an angiogenesis related protein GENE SIGNAL INTERNATIONAL SA (CH) 2010-09-28 — — US claimed
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