SCHEMBL887802

SCHEMBL887802

O=C(O)CCCBr.O=C(O)CCCBr

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.62
SLC22A6 Q4U2R8 2/20 0.62
TSHR P16473 5/20 0.59
NFKB1 P19838 2/20 0.59
PMP22 Q01453 1/20 0.59
CAMK2A Q9UQM7 1/20 0.53
HDAC11 Q96DB2 2/20 0.50
GABRR3 A8MPY1 1/20 0.50
GABRP O00591 1/20 0.50
GABRD O14764 1/20 0.50
HDAC3 O15379 1/20 0.50
GABBR2 O75899 1/20 0.50
CYP1A2 P05177 1/20 0.50
THRB P10828 1/20 0.50
GABRA1 P14867 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRG2 P18507 1/20 0.50
GABRR1 P24046 1/20 0.50
GABRB3 P28472 1/20 0.50
GABRR2 P28476 1/20 0.50

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
SCHEMBL26511 1.00
SCHEMBL27897729 0.97
Phosphine SCHEMBL10928713 0.97
Hydrochloric Acid SCHEMBL311494 0.97
Bromide SCHEMBL7514279 0.97
Methane SCHEMBL4112881 0.97
SCHEMBL11831774 0.97
SCHEMBL28223387 0.94
Ethane SCHEMBL1291473 0.94
Acetone SCHEMBL27789151 0.91 LMNA (0.53) LMNASLC22A6TSHRNFKB1PMP22

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
CN-102477082-A Method for synthesizing carbetocin by liquid phase synthesis method HANGZHOU HEJIN TECHNOLOGY CO LTD 2012-05-30 CN disclosed
US-8067162-B2 Replication; hybridization; kits RIKEN (JP) 2011-11-29 US disclosed
US-5543556-A NERVOUS SYSTEM DISORDERS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1996-08-06 US disclosed