SCHEMBL8698803

SCHEMBL8698803

O=C(O)c1ccccc1CCCc1ccccc1CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.58
ALDH1A1 P00352 5/20 0.57
ADRB2 P07550 1/20 0.57
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 1/20 0.49
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
BID P55957 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
BAK1 Q16611 1/20 0.47
SLC16A3 O15427 2/20 0.47

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
SCHEMBL8702953 0.94 FOLH1 (0.63) FOLH1ALDH1A1ADRB2LMNAKDM4E
SCHEMBL20162476 0.93 FOLH1 (0.61) FOLH1ALDH1A1ADRB2SMN1; SMN2MAPT
SCHEMBL29975597 0.93 FOLH1 (0.66) FOLH1ALDH1A1ADRB2LMNAKDM4E
SCHEMBL166927 0.93 FOLH1 (0.66) FOLH1ALDH1A1ADRB2LMNAKDM4E
Hydrochloric Acid SCHEMBL7699238 0.91 FOLH1 (0.63) FOLH1ALDH1A1ADRB2LMNAKDM4E
SCHEMBL11710027 0.89 FOLH1 (0.61) FOLH1ALDH1A1ADRB2SMN1; SMN2MAPT
SCHEMBL31474045 0.89 FOLH1 (0.70) FOLH1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL8698905 0.88 FOLH1 (0.61) FOLH1ALDH1A1ADRB2TSHRSLC16A3
SCHEMBL729909 0.85 FOLH1 (0.70) FOLH1ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL30365583 0.84 FOLH1 (0.76) FOLH1ALDH1A1ADRB2KDM4ESMN1; SMN2

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
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed