SCHEMBL7363208

SCHEMBL7363208

CCC(=O)C(C)CC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1716534 0.82 USP2 (0.45) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL14322074 0.81 USP2 (0.44) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL10635756 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL16065593 0.78 KMT2A (0.51) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18082594 0.78 KMT2A (0.39) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18082602 0.78 KMT2A (0.39) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL23501579 0.77 KMT2A (0.41) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18269631 0.77 USP2 (0.40) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18082592 0.77 KMT2A (0.41) USP2SMN1; SMN2HPGDTP53ALOX12
SCHEMBL18082591 0.77 KMT2A (0.41) USP2SMN1; SMN2HPGDTP53ALOX12

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
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed