SCHEMBL4405513

SCHEMBL4405513

O=Cc1ccc2c(c1)CCC=C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2A6 P11509 5/20 0.34
TSHR P16473 1/20 0.32
ALDH1A3 P47895 2/20 0.32
UNG P13051 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KCNJ1 P48048 1/20 0.30
TXNRD1 Q16881 1/20 0.30

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
SCHEMBL29521419 0.89 ALDH1A1 (0.44) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4408078 0.85 ALDH1A1 (0.36) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4403393 0.82 CYP2A6 (0.37) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4402558 0.82 CYP2A6 (0.37) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL28029104 0.81 ALDH1A1 (0.36) ALDH1A1MAPTTDP1
SCHEMBL2856444 0.81 ALDH1A1 (0.38) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4745707 0.75 CYP2A6 (0.37) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL2525091 0.75 FFAR4 (0.31)
SCHEMBL6784505 0.74 ALDH1A1 (0.46) ALDH1A1MEN1GAAMAPTHPGD
SCHEMBL4448971 0.74 CYP2A6 (0.36) ALDH1A1KDM4EPTGS2RAB9AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108264476-A A kind of anticancer drug Ai Li replaces the preparation method of Buddhist nun's intermediate 董丹丹 2018-07-10 CN claimed
CN-107987056-A A kind of new anaplastic lymphoma kinase (ALK) inhibitor Ai Li replaces the preparation method of Buddhist nun 董丹丹 2018-05-04 CN claimed
CN-108264476-A A kind of anticancer drug Ai Li replaces the preparation method of Buddhist nun's intermediate 董丹丹 2018-07-10 CN disclosed
CN-107987056-A A kind of new anaplastic lymphoma kinase (ALK) inhibitor Ai Li replaces the preparation method of Buddhist nun 董丹丹 2018-05-04 CN disclosed
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
EP-2447775-B1 Resist underlayer film composition and patterning process using the same SHINETSU CHEMICAL CO (JP) 2013-05-29 EP disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
EP-2447775-A1 Resist underlayer film composition and patterning process using the same Shin-Etsu Chemical Co., Ltd. (JP) 2012-05-02 EP disclosed