SCHEMBL5497063

SCHEMBL5497063

O=C(O)CC1(CC(=O)O)CCCCCCCCCNC1(CC(=O)O)CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 1/20 0.42
HSD11B1 P28845 2/20 0.33
CPB2 Q96IY4 2/20 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
SCHEMBL16447201 0.80 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2284853 0.80 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2094040 0.80 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1287846 0.78 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3730156 0.77 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
Cyclohexane SCHEMBL9536108 0.77 CYP2C19 (0.58) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL3345554 0.77 CYP2C19 (0.58) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6158201 0.75 CYP2C19 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL30361807 0.73 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL7387755 0.69 CYP1A2 (0.42) USP2ALDH1A1LMNACYP1A2TSHR

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
EP-3958879-A1 COMPOSITIONS AND METHODS OF IMMUNODEPLETION FOR THE TREATMENT OF MALIGNANT AND NON-MALIGNANT HEMATOLOGICAL DISEASES Actinium Pharmaceuticals, Inc. (US) 2022-03-02 EP disclosed
WO-2020219861-A1 COMPOSITIONS AND METHODS OF IMMUNODEPLETION FOR THE TREATMENT OF MALIGNANT AND NON-MALIGNANT HEMATOLOGICAL DISEASES ACTINIUM PHARMACEUTICALS, INC. (US) 2020-10-29 WO disclosed
EP-1412471-A4 APPARATUS AND METHOD FOR DETERMINING THE ONSET AND PRESENCE OF SEPSIS CONDITIONS WEBBER ROBERT (US) 2007-07-11 EP disclosed
EP-1412471-A1 APPARATUS AND METHOD FOR DETERMINING THE ONSET AND PRESENCE OF SEPSIS CONDITIONS Webber, Robert (US) 2004-04-28 EP disclosed
WO-2003012026-A1 APPARATUS AND METHOD FOR DETERMINING THE ONSET AND PRESENCE OF SEPSIS CONDITIONS WEBBER ROBERT (US) 2003-02-13 WO disclosed
EP-0436005-A1 LABELED POLYPEPTIDE DERIVATIVES. SANDOZ LTD (CH) 1991-07-10 EP disclosed