SCHEMBL11196893

SCHEMBL11196893

CC(C)[C@H](Nc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ MMP1 P03956 1/20 0.53
▸ MMP3 P08254 1/20 0.53
▸ MMP7 P09237 1/20 0.53
▸ MMP9 P14780 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ SDCBP O00560 2/20 0.51
▸ SDC2 P34741 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ FFAR2 O15552 1/20 0.46
▸ FPR2 P25090 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL11061860 1.00 MMP2 (0.53) MMP2TSHRMMP1MMP3MMP7
SCHEMBL11573752 0.98 MMP2 (0.51) MMP2TSHRMMP1MMP3MMP7
SCHEMBL11198241 0.85 KIF11 (0.46) MEN1KMT2ALMNAFPR2MAPT
SCHEMBL11198240 0.85 KIF11 (0.46) MEN1KMT2ALMNAFPR2MAPT
SCHEMBL11066794 0.85 CTSL (0.50) MMP2TSHRMMP1MMP3MMP7
SCHEMBL11193286 0.83 MMP9 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11196494 0.83 ADAMTS4 (0.51) MMP2TSHRMMP9MEN1KMT2A
SCHEMBL11196490 0.83 ADAMTS4 (0.51) MMP2TSHRMMP9MEN1KMT2A
SCHEMBL11193293 0.83 MMP9 (0.51) MMP2MMP1MMP3MMP7MMP9
SCHEMBL11198663 0.83 FPR2 (0.50) TSHRSDCBPSDC2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 — — US claimed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 — — US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 — — US disclosed
US-4231953-A Fluoro substituted aryl esters and thiolesters of amino acids ZOECON CORPORATION (US) 1980-11-04 — — US disclosed
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 — — US disclosed
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