SCHEMBL7546992

SCHEMBL7546992

OCc1ccc(CCI)cc1.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.46
CHKA P35790 1/20 0.45
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CA2 P00918 2/20 0.40
VHL P40337 1/20 0.39
ELOC Q15369 1/20 0.39
ELOB Q15370 1/20 0.39
LTA4H P09960 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39

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
SCHEMBL1366942 0.97 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7539245 0.82 CHKA (0.58) TSHRCHKAPRSS1PRSS2PRSS3
SCHEMBL10685072 0.82 ALDH1A1 (0.69) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL41775 0.78 TSHR (0.67) HPGDTSHRCHKAPRSS1PRSS2
SCHEMBL7548532 0.78 ESR1 (0.68) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL16705541 0.77 CHKA (0.41) ALDH1A1HSD17B10TSHRCHKAPRSS1
SCHEMBL25301605 0.77 TSHR (0.50) ALDH1A1ALOX15HSD17B10TSHRCHKA
SCHEMBL40703 0.77 CA2 (0.65) ALDH1A1TSHRCHKAPRSS1PRSS2
SCHEMBL12810991 0.77 TSHR (0.50) HPGDTSHRCHKAPRSS1PRSS2
SCHEMBL7670922 0.77 TSHR (0.50) HPGDTSHRCHKAPRSS1PRSS2

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-6482990-B1 Prostaglandin E analogues TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-11-19 US disclosed
EP-1211241-A1 PROSTAGLANDIN E ANALOGUES TAISHO PHARMACEUTICAL CO., LTD (JP) 2002-06-05 EP disclosed