SCHEMBL28635591

SCHEMBL28635591

CCC(C)c1c(N)ccc(NN)c1C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C9 P11712 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
SCHEMBL107810 0.84 ALDH1A1 (0.45) USP2ALDH1A1GAAPKMHPGD
SCHEMBL841650 0.73 USP2 (0.38) USP2ALDH1A1GAAPKMHPGD
SCHEMBL23066168 0.71 TSHR (0.39) HPGD
SCHEMBL3650390 0.71 ALDH1A1 (0.42) USP2ALDH1A1GAAPKMHPGD
SCHEMBL28877103 0.71 TSHR (0.41) USP2ALDH1A1GAAPKMHPGD
SCHEMBL8629720 0.68 GRIA4 (0.36) USP2ALDH1A1GAAPKMHPGD
Methane SCHEMBL28126707 0.67 GRIA4 (0.35) USP2ALDH1A1GAAPKMHPGD
SCHEMBL14958569 0.66 MET (0.37) USP2ALDH1A1GAAPKMHPGD
SCHEMBL2476981 0.65 TSHR (0.48) USP2ALDH1A1GAAPKMHPGD
SCHEMBL11041498 0.65 CD44 (0.45) USP2ALDH1A1GAAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115125669-A Ultrasonic-responsive nitric oxide-releasing electrospun membrane and preparation method thereof 华中科技大学同济医学院附属协和医院 2022-09-30 CN disclosed
CN-113521280-A Infrared light response nitric oxide releasing separable microneedle, and preparation method and application thereof 广州贝奥吉因生物科技股份有限公司 2021-10-22 CN disclosed