SCHEMBL21881977

SCHEMBL21881977

CCCCC(CI)CC(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
TP53 P04637 1/20 0.41
CA2 P00918 6/20 0.40
TSHR P16473 5/20 0.39
TDP1 Q9NUW8 2/20 0.37
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
CA1 P00915 2/20 0.35
LMNA P02545 1/20 0.34
RECQL P46063 1/20 0.34
GPR84 Q9NQS5 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
SCHEMBL28647371 0.88 TSHR (0.37) ALDH1A1TP53TSHRTDP1CYP3A4
SCHEMBL18271803 0.88 TSHR (0.37) ALDH1A1TP53TSHRTDP1CYP3A4
Hydrochloric Acid SCHEMBL28259197 0.86 TSHR (0.36) ALDH1A1TP53TSHRTDP1CYP3A4
SCHEMBL9176709 0.83 ALDH1A1 (0.52) ALDH1A1TP53CA2TSHRTDP1
SCHEMBL10578855 0.83 ALDH1A1 (0.52) ALDH1A1TP53CA2TSHRTDP1
SCHEMBL31065655 0.82 ALDH1A1 (0.50) ALDH1A1TP53CA2TSHRLMNA
SCHEMBL20232280 0.82 ALDH1A1 (0.43) ALDH1A1TP53CA2TSHRTDP1
SCHEMBL31065656 0.82 ALDH1A1 (0.50) ALDH1A1TP53CA2TSHRLMNA
SCHEMBL34462660 0.81 ALDH1A1 (0.48) ALDH1A1TP53CA2TSHRCA1
SCHEMBL25120993 0.79 ALDH1A1 (0.52) ALDH1A1TP53CA2TSHRLMNA

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
WO-2020051796-A1 PREPARATION METHOD FOR BRIVARACETAM AND INTERMEDIATE THEREOF 上海宣泰医药科技有限公司 2020-03-19 WO disclosed
WO-2020052545-A1 METHOD FOR PREPARING BRIVARACETAM AND INTERMEDIATES THEREOF 上海宣泰医药科技有限公司 2020-03-19 WO disclosed