SCHEMBL24596015

SCHEMBL24596015

COC(=O)C(C)SC(=S)c1cccc(-c2cccc(C(C)(C)SC(=S)c3ccccc3)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
GLA P06280 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
PLA2G1B P04054 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL16093971 0.79 KMT2A (0.47) PTGS1PTGS2ALDH1A1LMNAGLA
SCHEMBL19355148 0.74 RXRA (0.36) RXRARXRBALDH1A1HDAC8
SCHEMBL29151606 0.71 ALDH1A1 (0.39) ALDH1A1LMNAGLACYP1A2CYP2C19
SCHEMBL164092 0.70 ALDH1A1 (0.38) ALDH1A1LMNACYP2C19MEN1KMT2A
SCHEMBL22204637 0.69 ELANE (0.40) PTGS1PTGS2ALDH1A1LMNAGLA
SCHEMBL6721030 0.68 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2A
SCHEMBL6720995 0.68 SMN1; SMN2 (0.39) RXRARXRBALDH1A1LMNAMEN1
SCHEMBL1524290 0.67 EPHX1 (0.40) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL3749730 0.66 MEN1 (0.51) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL28770361 0.65 RXRA (0.43) RXRARXRBPTGS1PTGS2ALDH1A1

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
US-11827747-B2 Arginine-based antibacterial polymers with UCST property CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-11-28 US disclosed
US-20220213265-A1 ARGININE-BASED ANTIBACTERIAL POLYMERS WITH UCST PROPERTY UNIVERSITÉ DE STRASBOURG (FR) 2022-07-07 US disclosed