SCHEMBL15313391

SCHEMBL15313391

CC(C)=C1C=C2CCC3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.74
▸ CYP2C9 P11712 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ HSD17B10 Q99714 3/20 0.50
▸ ALOX15 P16050 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ PDK1 Q15118 2/20 0.50
▸ PDK2 Q15119 2/20 0.50
▸ PDK3 Q15120 2/20 0.50
▸ PDK4 Q16654 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SLCO1B3 Q9NPD5 1/20 0.50
▸ SLCO1B1 Q9Y6L6 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RXRA P19793 2/20 0.47
▸ RXRB P28702 2/20 0.47

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
SCHEMBL18328548 1.00 MMP2 (0.74) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL2603444 1.00 MMP2 (0.74) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL1439573 1.00 MMP2 (0.74) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL2754764 1.00 MMP2 (0.74) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL21683371 0.83 CYP19A1 (0.52) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL30619384 0.83 CYP19A1 (0.52) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL30204649 0.81 MMP2 (0.48) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL15072074 0.80 MMP2 (0.49) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL18328546 0.78 MMP2 (0.66) MMP2CYP2C9CYP2C19HSD17B10ALOX15
SCHEMBL152258 0.76 MMP2 (0.64) MMP2CYP2C9CYP2C19HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131854-B1 SLURRY BIOCIDE ECOLAB USA INC (US) 2022-04-27 — — EP disclosed
US-9909219-B2 Slurry biocide ECOLAB USA INC. (US) 2018-03-06 — — US disclosed
US-9909219-B2 Slurry biocide ECOLAB USA INC. (US) 2018-03-06 — — US disclosed
WO-2015160487-A1 SLURRY BIOCIDE ECOLAB USA INC. (US) 2015-10-22 — — WO disclosed
US-20150291462-A1 SLURRY BIOCIDE ECOLAB USA INC. (US) 2015-10-15 — — US disclosed
US-20150291462-A1 SLURRY BIOCIDE ECOLAB USA INC. (US) 2015-10-15 — — US disclosed
US-8557338-B1 Corrosion control ECOLAB USA INC. (US) 2013-10-15 — — US disclosed
US-8557338-B1 Corrosion control ECOLAB USA INC. (US) 2013-10-15 — — US disclosed
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