SCHEMBL6228602

SCHEMBL6228602

CC(CC(=O)CC(C)C1(c2ccccc2)CC1)C1(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.40
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HDAC4 P56524 3/20 0.39
▸ OPRL1 P41146 4/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL27742157 0.76 AKR1C1 (0.42) OPRM1APOBEC3AAPOBEC3GAKR1C1ALDH1A1
SCHEMBL28302871 0.76 TAAR1 (0.45) OPRM1OPRL1TDP1SLC6A2CYP2D6
SCHEMBL16015556 0.74 OPRM1 (0.43) OPRM1APOBEC3AAPOBEC3GAKR1C1ALDH1A1
SCHEMBL7941233 0.73 SLC6A4 (0.44) OPRM1APOBEC3AAPOBEC3GAKR1C1ALDH1A1
SCHEMBL19647087 0.73 AKR1C1 (0.40) OPRM1APOBEC3AAPOBEC3GAKR1C1ALDH1A1
SCHEMBL17215183 0.73 AKR1C1 (0.40) OPRM1APOBEC3AAPOBEC3GAKR1C1ALDH1A1
SCHEMBL20876291 0.72 CYP2D6 (0.42) OPRM1AKR1C1ALDH1A1HDAC4OPRL1
SCHEMBL2441371 0.72 L3MBTL1 (0.38) OPRM1ALDH1A1TDP1SMN1; SMN2CYP2D6
SCHEMBL4576233 0.72 CYP2D6 (0.45) OPRM1OPRL1SLC6A2SMN1; SMN2CYP2D6
SCHEMBL19647226 0.71 OPRM1 (0.41) OPRM1APOBEC3AAPOBEC3GAKR1C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026151-B1 Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides DOW AGROSCIENCES LLC (US) 2005-03-16 — — EP disclosed
EP-1026151-A1 Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 2000-08-09 — — EP disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 — — US disclosed
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