SCHEMBL5598360

SCHEMBL5598360

CCC(C)CC1C(=O)CCC1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.57
▸ AKR1C3 P42330 1/20 0.57
▸ AKR1C2 P52895 1/20 0.57
▸ HTT P42858 1/20 0.32
▸ SLC6A12 P48065 3/20 0.31
▸ SLC6A11 P48066 3/20 0.31
▸ SLC6A13 Q9NSD5 3/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ PTGER3 P43115 1/20 0.31
▸ PTGER2 P43116 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8495812 0.81 AKR1C4 (0.39) AKR1C4AKR1C3AKR1C2
SCHEMBL3676451 0.79 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2HTTSLC6A12
SCHEMBL3678426 0.79 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2HTTSLC6A12
SCHEMBL11863746 0.78 AKR1C4 (0.68) AKR1C4AKR1C3AKR1C2HTTSLC6A12
Dihydrojasmonic Acid SCHEMBL8675548 0.74 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTTPTGER4
Dihydrojasmonic Acid SCHEMBL3193051 0.74 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTTPTGER4
Dihydrojasmonic Acid SCHEMBL216000 0.74 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTTPTGER4
Dihydrojasmonic Acid SCHEMBL7100591 0.74 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTTPTGER4
Dihydrojasmonic Acid SCHEMBL5940628 0.74 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTTPTGER4
Dihydrojasmonic Acid SCHEMBL8675550 0.74 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTTPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176163-B1 Pharmacological effect potentiators for pesticides MEIJA SEIKA KAISHA, LTD. (JP) 2007-02-13 — — US disclosed
EP-1155615-B1 PHARMACOLOGICAL EFFECT POTENTIATORS FOR PESTICIDES MEIJI SEIKA KAISHA (JP) 2004-09-29 — — EP disclosed
EP-0888715-B1 GROWTH REGULATOR FOR CROP PLANTS AND METHOD FOR REGULATING THE GROWTH OF CROP PLANTS NIPPON ZEON CO (JP) 2002-06-05 — — EP disclosed
EP-1155615-A1 PHARMACOLOGICAL EFFECT POTENTIATORS FOR PESTICIDES MEIJI SEIKA KAISHA LTD. (JP) 2001-11-21 — — EP disclosed
US-6114284-A MIXTURE OF GIBBERELLIN AND JASMONIC ACID NIPPON ZEON CO., LTD. (JP) 2000-09-05 — — US disclosed
EP-0888715-A1 GROWTH REGULATOR FOR CROP PLANTS AND METHOD FOR REGULATING THE GROWTH OF CROP PLANTS NIPPON ZEON CO., LTD. (JP) 1999-01-07 — — EP disclosed
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