SCHEMBL7366276

SCHEMBL7366276

O=C(O)C1CCCC1C1OC1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.46
F2 P00734 3/20 0.43
PRSS1 P07477 2/20 0.43
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
F2R P25116 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL10590747 0.85 SLC6A2 (0.42) TAAR1F2PRSS1ALDH1A1HPGD
SCHEMBL4975451 0.72 TAAR1 (0.42) TAAR1F2PRSS1RAB9ATSHR
SCHEMBL7452644 0.71 TAAR1 (0.53) TAAR1ALDH1A1GLARAB9APOLB
SCHEMBL7452648 0.71 TAAR1 (0.53) TAAR1ALDH1A1GLARAB9APOLB
SCHEMBL7230439 0.71 TAAR1 (0.53) TAAR1ALDH1A1GLARAB9APOLB
SCHEMBL5194706 0.69 TLR9 (0.46) GAA
SCHEMBL3684121 0.69 TLR9 (0.46) GAA
SCHEMBL5194710 0.69 TLR9 (0.46) GAA
SCHEMBL5194716 0.69 TLR9 (0.46) GAA
SCHEMBL4384032 0.68 TAAR1 (0.53) TAAR1ALDH1A1HPGDUSP2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed