SCHEMBL8489186

SCHEMBL8489186

COC(=O)c1c(SC)ccc(C(=O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GRM6 O15303 1/20 0.36
GRM5 P41594 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL8492518 0.86 L3MBTL1 (0.39) L3MBTL1TSHRTDP1LMNACA12
SCHEMBL27777699 0.84 CYP1A2 (0.38) TSHRCA12CA1CA2CA7
SCHEMBL20448248 0.84 CA12 (0.44) L3MBTL1TSHRTDP1LMNACA12
SCHEMBL8493468 0.83 LMNA (0.36) L3MBTL1TSHRLMNACA12CA1
SCHEMBL8491796 0.83 CA12 (0.42) TDP1LMNACA12CA1CA2
SCHEMBL10698784 0.83 TSHR (0.45) L3MBTL1TSHRLMNAGAARAB9A
SCHEMBL14506799 0.81 L3MBTL1 (0.42) L3MBTL1TSHRTDP1LMNACA12
SCHEMBL9079096 0.81 ALDH1A1 (0.44) L3MBTL1TSHRTDP1LMNAGRM6
SCHEMBL6981482 0.80 KDM4E (0.39) TSHRTDP1SMN1; SMN2MEN1KMT2A
SCHEMBL28139096 0.80 LMNA (0.42) L3MBTL1TSHRTDP1LMNACA12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859283-A TERTIARY-BUTYL 3-CYCLOALKYL-3-OXOPROPIONATE RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-12 US disclosed
US-5747424-A HEATING AN AROMATIC DIKETONE WITH A SALT OF HYDROXYLAMINE IN A SOLVENT RHONE-POULENC AGRICULTURE LTD. (GB) 1998-05-05 US disclosed
US-5656573-A Herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-12 US disclosed
US-5650533-A Intermediates to herbicidal 4-substituted isoxazoles RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-22 US disclosed
EP-0418175-B1 Isoxazoles herbicides RHONE POULENC AGRICULTURE (GB) 1996-07-17 EP disclosed
EP-0418175-A2 Isoxazoles herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1991-03-20 EP disclosed
EP-0282944-A2 Pyrazole derivative and herbicide containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-09-21 EP disclosed