SCHEMBL9487701

SCHEMBL9487701

CC1(C)SSC[C@@H](C(=O)O)NC1=O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
KMT2A Q03164 2/20 0.47
ITGA4 P13612 7/20 0.35
CAD P27708 2/20 0.33
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP2D6 P10635 2/20 0.30
LMNA P02545 2/20 0.30
BLM P54132 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
ITGB1 P05556 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
PMP22 Q01453 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
SCHEMBL10949228 1.00 HTT (0.70) HTTKMT2AITGA4CADMAPT
SCHEMBL9662670 0.83 HTT (0.57) HTTKMT2AITGA4
SCHEMBL2333909 0.82 HTT (1.00) HTTKMT2AMAPTGAAKDM4E
SCHEMBL24668935 0.79 HTT (0.45) HTTKMT2AITGA4
Limazocic SCHEMBL1230921 0.78 HTT (0.58) HTTKMT2AITGA4CADMAPT
Limazocic SCHEMBL9326335 0.78 HTT (0.58) HTTKMT2AITGA4CADMAPT
Limazocic SCHEMBL9329801 0.78 HTT (0.58) HTTKMT2AITGA4CADMAPT
SCHEMBL24378491 0.76 HTT (0.45) HTTKMT2AGAALMNABLM
SCHEMBL24378313 0.76 HTT (0.45) HTTKMT2AGAALMNABLM
SCHEMBL24378532 0.74 HSD17B10 (0.43) HTTKMT2ALMNABLMTSHR

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
WO-2024134272-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF DERMAL AND OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2024-06-27 WO disclosed
US-20230241675-A1 COMPOSITIONS, COMPRISING PLATELET-SHAPED TRANSITION METAL PARTICLES BASF SE (DE) 2023-08-03 US disclosed
EP-0326326-B1 CYSTEINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-01-07 EP disclosed
US-4517123-A Cysteine derivatives of disulfide form SANTEN PHARMACEUTICAL CO., LTD. (JP) 1985-05-14 US disclosed