SCHEMBL28716640

SCHEMBL28716640

CC(C)(C)OC(=O)C(OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 4/20 0.55
▸ GAA P10253 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MAPT P10636 6/20 0.53
▸ TDP1 Q9NUW8 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ ROCK2 O75116 2/20 0.49
▸ ACE P12821 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MLYCD O95822 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ PAX8 Q06710 1/20 0.48

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
SCHEMBL27616693 0.82 CTSL (0.60) CTSLGAARAB9AMAPTTDP1
SCHEMBL19485398 0.82 MAPT (0.59) CTSLGAARAB9AMAPTTDP1
SCHEMBL20838245 0.81 CTSL (0.60) CTSLGAARAB9AMAPTTDP1
SCHEMBL9237730 0.81 RAB9A (0.61) CTSLGAARAB9AMAPTTDP1
SCHEMBL9237734 0.81 RAB9A (0.61) CTSLGAARAB9AMAPTTDP1
SCHEMBL19437160 0.81 CTSL (0.60) CTSLGAARAB9AMAPTTDP1
SCHEMBL27808602 0.80 CTSL (0.65) CTSLGAARAB9AALDH1A1LMNA
SCHEMBL27808603 0.80 CTSL (0.65) CTSLGAARAB9AALDH1A1LMNA
SCHEMBL31206887 0.78 GAA (0.76) CTSLGAARAB9APOLBALDH1A1
SCHEMBL2461492 0.78 GAA (0.76) CTSLGAARAB9APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153635-B Neuropeptide S receptor (NPSR) agonists 研究三角协会 2022-04-08 — — CN disclosed
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