SCHEMBL899588

SCHEMBL899588

C=CCC(=C)C(=O)OCC(O)CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
USP2 O75604 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL899587 0.82 TSHR (0.41) TSHRUSP2CYP3A4MAPTSMN1; SMN2
SCHEMBL28147024 0.82 TSHR (0.39) TSHRALDH1A1LMNA
SCHEMBL2023803 0.79 TSHR (0.37) TSHRLMNA
SCHEMBL31390462 0.79 KDM4E (0.38) TSHRCYP3A4MAPTALDH1A1LMNA
SCHEMBL2358456 0.77 ALDH1A1 (0.45) TSHRMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL2367987 0.77 KDM4E (0.37) TSHRCYP3A4MAPTLMNA
SCHEMBL8462676 0.77 TSHR (0.36) TSHRSMN1; SMN2ALDH1A1LMNACYP2D6
SCHEMBL29141470 0.76 KDM4E (0.42) TSHRCYP3A4MAPTLMNA
SCHEMBL137371 0.76 TSHR (0.61) TSHRUSP2CYP3A4MAPTSMN1; SMN2
SCHEMBL13806617 0.76 TSHR (0.41) TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180340083-A1 METAL DISPERSION WITH INCREASED STABILITY CLARIANT INTERNATIONAL LTD. (CH) 2018-11-29 US disclosed
US-8920542-B2 Additives for inhibiting gas hydrate formation CLARIANT FINANCE (BVI) LIMITED (VG) 2014-12-30 US disclosed
US-8920543-B2 Additives for inhibition of gas hydrate formation CLARIANT FINANCE (BVI) LIMITED (VG) 2014-12-30 US disclosed
US-20130065799-A1 Additives For Inhibition Of Gas Hydrate Formation CLARIANT FINANCE (BVI) LIMITED (VG) 2013-03-14 US disclosed
US-20120080643-A1 ADDITIVES FOR INHIBITING GAS HYDRATE FORMATION CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-05 US disclosed