SCHEMBL6521285

SCHEMBL6521285

CC1(C)C(COCc2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
AGTR2 P50052 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.37
CETP P11597 3/20 0.37
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL1154270 1.00 TSHR (0.42) TSHRALDH1A1MMP1MMP2MMP3
SCHEMBL3690693 1.00 TSHR (0.42) TSHRALDH1A1MMP1MMP2MMP3
SCHEMBL11312924 1.00 TSHR (0.42) TSHRALDH1A1MMP1MMP2MMP3
SCHEMBL6521289 1.00 TSHR (0.42) TSHRALDH1A1MMP1MMP2MMP3
SCHEMBL6413786 0.91 NAAA (0.42) TSHRLMNA
SCHEMBL3362063 0.87 MMP1 (0.43) TSHRALDH1A1MMP1MMP2MMP3
SCHEMBL6406010 0.85 MMP1 (0.45) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL1153506 0.84 TP53 (0.43) TSHRALDH1A1LMNAMAPK1L3MBTL1
SCHEMBL6406120 0.83 L3MBTL1 (0.41) TSHRALDH1A1MMP1MMP2MMP3
SCHEMBL6406988 0.79 NAAA (0.40) ALDH1A1MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005348686-A METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOPROPANECARBOXYLIC ACID SUMITOMO CHEMICAL CO LTD 2005-12-22 JP disclosed
US-4258207-A Cyclopropanecarboxylate pesticides preparation SHELL OIL COMPANY (US) 1981-03-24 US disclosed
US-4241081-A Cyclopropanecarboxylate pesticides SHELL OIL COMPANY (US) 1980-12-23 US disclosed
US-4209642-A Cyclopropylmethanol pesticide SHELL OIL COMPANY (US) 1980-06-24 US disclosed