SCHEMBL4401558

SCHEMBL4401558

O=Cc1ccc2c(c1)C1C=CC2C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2A6 P11509 5/20 0.36
TSHR P16473 1/20 0.34
ALDH1A3 P47895 3/20 0.33
UNG P13051 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH5A1 P51649 2/20 0.32
ABAT P80404 2/20 0.32
AOX1 Q06278 1/20 0.32
TRIM24 O15164 1/20 0.32
HPGD P15428 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL4401577 0.83 CYP2A6 (0.41) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL10072582 0.78 CYP2A6 (0.37) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL4448546 0.77 CYP2A6 (0.36) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL25368912 0.72 ALDH1A1 (0.38) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL10548714 0.72 RARG (0.48) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL10170788 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL16905441 0.71 ALDH1A1 (0.36) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL4401561 0.69 ALDH1A1 (0.33) ALDH1A1KDM4EPTGS2RAB9AHSD17B10
SCHEMBL11530896 0.68 CHRNB2 (0.47) CYP2A6SMN1; SMN2
SCHEMBL17904017 0.67 TSHR (0.41) ALDH1A1KDM4EPTGS2HSD17B10TSHR

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
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