SCHEMBL10696697

SCHEMBL10696697

CCS(=O)(=O)O.OCCC1CCNCC1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.42
GABRA1 P14867 2/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
GABRG2 P18507 1/20 0.42
NFKB1 P19838 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRA6 Q16445 1/20 0.42
GNAO1 P09471 4/20 0.39
GNAI3 P08754 3/20 0.39
GNAI1 P63096 3/20 0.39
ITGB3 P05106 6/20 0.35
ITGA2B P08514 6/20 0.35
F2R P25116 1/20 0.35
SLC6A1 P30531 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33

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
SCHEMBL28281 0.83
SCHEMBL28765706 0.83 GNAO1 (0.41) GABRA5GABRA1LMNACYP3A4TSHR
Hydrochloric Acid SCHEMBL1652678 0.81 GBA1 (0.40) GABRA5GABRA1GNAO1GNAI3GNAI1
SCHEMBL28134700 0.81
Propionic Acid SCHEMBL27304995 0.81 GABRA5 (0.46) GABRA5GABRA1TSHRGABRG2GABRB3
Acetic Acid SCHEMBL5764925 0.80 GABRA5 (0.44) GABRA5GABRA1TSHRGABRG2GABRB3
SCHEMBL28134699 0.79
Oxalic Acid SCHEMBL9344093 0.78 GABRA5 (0.45) GABRA5GABRA1TSHRGABRG2GABRB3
SCHEMBL2169002 0.78 GABRA5 (0.46) GABRA5GABRA1LMNACYP3A4TSHR
Hydrochloric Acid SCHEMBL29891111 0.76 GABRA5 (0.45) GABRA5GABRA1LMNACYP3A4TSHR

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
CN-1234031-A Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) PFIZER (US) 1999-11-03 CN disclosed
EP-0266880-A2 Hybridomas and monoclonal paratopic molecules to apolipoprotein A-I SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1988-05-11 EP disclosed