SCHEMBL28836707

SCHEMBL28836707

CC1(C)[C@@H]2CC[C@]1(C)C(OC(=O)COC(=O)CSC#N)C2

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.86
LMNA P02545 1/20 0.86
CYP19A1 P11511 2/20 0.48

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
SCHEMBL5933205 0.93 ALDH1A1 (1.00) ALDH1A1LMNACYP19A1
SCHEMBL790530 0.93 ALDH1A1 (1.00) ALDH1A1LMNACYP19A1
SCHEMBL27474596 0.93 ALDH1A1 (1.00) ALDH1A1LMNACYP19A1
SCHEMBL6115773 0.93 ALDH1A1 (1.00) ALDH1A1LMNACYP19A1
SCHEMBL28189135 0.91 ALDH1A1 (0.97) ALDH1A1LMNACYP19A1
Isobornyl Valerate SCHEMBL28124650 0.85 ALDH1A1 (0.84) ALDH1A1LMNACYP19A1
SCHEMBL27962131 0.85 ALDH1A1 (0.80) ALDH1A1LMNACYP19A1
SCHEMBL27525621 0.84 ALDH1A1 (0.78) ALDH1A1LMNACYP19A1
Valeric Acid SCHEMBL28224201 0.83 LMNA (0.81) ALDH1A1LMNACYP19A1
SCHEMBL27641341 0.83 ALDH1A1 (0.77) ALDH1A1LMNACYP19A1

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
CN-105283531-B Detergent composition 狮王株式会社 2018-11-02 CN disclosed
CN-105263920-B Fungicidal amides 杜邦公司 2017-09-26 CN disclosed
CN-106458926-A Pyridazinone herbicides 杜邦公司 2017-02-22 CN disclosed
CN-103561713-B There is the compositions of the strong degree of effective spice 宝洁公司 2016-11-02 CN disclosed