SCHEMBL9716038

SCHEMBL9716038

C=C(C)C(=O)Oc1ccccc1Cl.OC(=S)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM4E B2RXH2 4/20 0.41
PTK2B Q14289 1/20 0.40
ELANE P08246 1/20 0.40
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
HMGB1 P09429 2/20 0.38
NAPRT Q6XQN6 2/20 0.38
TSHR P16473 2/20 0.38
PTGS1 P23219 2/20 0.38
ALOX15 P16050 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
GGT1 P19440 1/20 0.38
PTGS2 P35354 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL9716025 0.85 ESR1 (0.43) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL964110 0.83 ELANE (0.49) ESR1ALDH1A1HPGDHSD17B10KDM4E
Thiosalicylic Acid SCHEMBL9716030 0.77 MAPT (0.51) ESR1ALDH1A1HPGDHSD17B10KDM4E
Thioglycolic Acid SCHEMBL9716016 0.76 ELANE (0.44) HPGDPTK2BELANEHTTTP53
SCHEMBL7637522 0.76 ELANE (0.50) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL207636 0.75 ELANE (0.50) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL29497591 0.75 ELANE (0.50) ESR1ESR2ALDH1A1HPGDHSD17B10
SCHEMBL8204774 0.74 HPGD (0.67) ESR1ESR2ALDH1A1HPGDHSD17B10
Mercaptopropionic Acid SCHEMBL9715938 0.73 ELANE (0.41) HPGDPTK2BELANEHTTTP53
SCHEMBL4362434 0.73 CA1 (0.43) PTK2BELANECA2CA12CA1

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-5147752-A Crosslinked binder FUJI PHOTO FILM CO., LTD. (JP) 1992-09-15 US disclosed