SCHEMBL3735328

SCHEMBL3735328

CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.59
CTSS P25774 4/20 0.59
CTSB P07858 3/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
CTSK P43235 3/20 0.55
CASP3 P42574 2/20 0.50
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
ELANE P08246 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL3735332 1.00 CTSL (0.59) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL3731879 0.90 CTSL (0.53) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL3732674 0.88 CTSL (0.58) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL11771667 0.85 CTSL (0.55) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL7278892 0.85 CTSL (0.55) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL7278888 0.85 CTSL (0.55) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL3732278 0.84 CYP3A4 (0.59) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL8662503 0.83 CTSB (0.70) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL7860526 0.83 CYP3A4 (0.57) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL27310595 0.82 CYP3A4 (0.69) CTSLCTSSCTSBCYP3A4CYP2D6

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-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 US disclosed