SCHEMBL9585403

SCHEMBL9585403

CCC(=O)SCC(Cc1ccccc1)C(=O)Nc1cc(C)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCC3 O15438 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 1/20 0.39
RARG P13631 1/20 0.39
CNR1 P21554 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL9586526 0.99 MEN1 (0.46) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL9585121 0.92 MEN1 (0.45) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL9586821 0.91 MEN1 (0.44) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL9586532 0.91 HTT (0.41) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL9586499 0.90 MEN1 (0.43) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL7430189 0.89 CYP1A2 (0.50) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL9586829 0.85 MEN1 (0.44) MEN1KMT2AHTTNPSR1ALDH1A1
SCHEMBL7427956 0.82 MME (0.51) MEN1KMT2AALDH1A1
SCHEMBL7430576 0.80 CYP1A2 (0.49) MEN1KMT2AALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL7440587 0.78 KMT2A (0.44) MEN1KMT2AHTTNPSR1ALDH1A1

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-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US claimed
US-5210266-A Analgesic enkephalinase inhibitors DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed