SCHEMBL8717820

SCHEMBL8717820

O=C(O)CCCC(=O)NC(CO)(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.48
CAMK2A Q9UQM7 1/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 4/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
GABRR3 A8MPY1 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
HDAC3 O15379 1/20 0.36
GABBR2 O75899 1/20 0.36
CYP1A2 P05177 1/20 0.36
THRB P10828 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL12328406 0.88 HRH3 (0.49) HRH3SLC22A6TSHRGPR84FFAR1
SCHEMBL21795201 0.86 HRH3 (0.61) HRH3LMNATSHRALDH1A1HDAC3
SCHEMBL12328359 0.81 HRH3 (0.57) HRH3SLC22A6TSHRGPR84FFAR1
SCHEMBL8684475 0.81 HRH3 (0.50) HRH3ALDH1A1KDM4EKDM6BKDM5C
SCHEMBL23869714 0.81 HRH3 (0.53) HRH3LMNATSHRALDH1A1POLB
SCHEMBL12631861 0.81 SLC22A6 (0.46) SLC22A6CAMK2ALMNATSHRNFKB1
SCHEMBL22828585 0.81 HRH3 (0.53) HRH3LMNATSHRALDH1A1KDM4E
SCHEMBL14181449 0.80 SLC22A6 (0.43) HRH3SLC22A6LMNATSHRNFKB1
SCHEMBL12328408 0.79 SLC22A6 (0.44) HRH3SLC22A6CAMK2ALMNATSHR
SCHEMBL18059195 0.78 HRH3 (0.69) HRH3ALDH1A1KMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US claimed
EP-0527189-A1 NOVEL CC-1065 ANALOGS PHARMACIA & UPJOHN COMPANY (US) 1993-02-17 EP claimed
WO-1991016324-A1 NOVEL CC-1065 ANALOGS THE UPJOHN COMPANY (US) 1991-10-31 WO claimed
US-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US disclosed
EP-0527189-A1 NOVEL CC-1065 ANALOGS PHARMACIA & UPJOHN COMPANY (US) 1993-02-17 EP disclosed
WO-1991016324-A1 NOVEL CC-1065 ANALOGS THE UPJOHN COMPANY (US) 1991-10-31 WO disclosed