SCHEMBL8618534

SCHEMBL8618534

O=C(C=P(c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCO1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 4/20 0.47
POLB P06746 4/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
FASN P49327 2/20 0.42
PKM P14618 2/20 0.42
HTT P42858 1/20 0.42
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8618530 1.00 ALDH1A1 (0.48) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL8059143 0.77 HSP90AA1 (0.46) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL7531104 0.76 HSP90AA1 (0.49) GAASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL16272178 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL19424019 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL18386576 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL18059140 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL20726184 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL21139383 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB
SCHEMBL10534961 0.76 HSP90AA1 (0.45) ALDH1A1GAASMN1; SMN2HPGDPOLB

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-5716948-A 3-substituted carbacephems PFIZER INC. (US) 1998-02-10 US disclosed
WO-1993025551-A1 3-SUBSTITUTED CARBACEPHEMS SMITHKLINE BEECHAM PLC (GB) 1993-12-23 WO disclosed