SCHEMBL22288206

SCHEMBL22288206

O=C(O)CCCC1CC=CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
TSHR P16473 3/20 0.42
PMP22 Q01453 2/20 0.42
NFKB1 P19838 1/20 0.42
ALOX5 P09917 1/20 0.41
CAMK2A Q9UQM7 1/20 0.39
THRB P10828 2/20 0.37
BLM P54132 2/20 0.37
KMT2A Q03164 2/20 0.37
GABRR3 A8MPY1 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
HDAC3 O15379 1/20 0.37
GABBR2 O75899 1/20 0.37
CYP1A2 P05177 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRR1 P24046 1/20 0.37

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
SCHEMBL4558668 0.91 TSHR (0.50) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL9182805 0.86 KDM4E (0.39) LMNASLC22A6TSHRPMP22ALOX5
SCHEMBL25660621 0.86 LMNA (0.38) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL27953679 0.79 KDM5A (0.44) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL4612433 0.78
SCHEMBL29193847 0.78 KDM5A (0.53) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL11580408 0.77 LMNA (0.35) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL22303813 0.77
SCHEMBL4361532 0.74 KDM5A (0.51) LMNASLC22A6TSHRPMP22NFKB1
SCHEMBL4352140 0.74 KDM5A (0.56) LMNASLC22A6TSHRPMP22NFKB1

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
CN-113348164-B Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2023-08-29 CN disclosed
CN-111517939-B Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2023-03-31 CN disclosed
CN-113348164-A Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2021-09-03 CN disclosed
CN-111517939-A Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2020-08-11 CN disclosed
WO-2020155952-A1 PREPARATION METHOD FOR FUSED TRICYCLIC DERIVATIVE AND INTERMEDIATE 四川海思科制药有限公司 2020-08-06 WO disclosed
WO-2020155952-A1 PREPARATION METHOD FOR FUSED TRICYCLIC DERIVATIVE AND INTERMEDIATE 四川海思科制药有限公司 2020-08-06 WO disclosed