SCHEMBL21044913

SCHEMBL21044913

CC1=C(C)C(C)([Zr](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)C(C)=C1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
ELANE P08246 2/20 0.32
CALM1 P0DP23 1/20 0.32
ALDH1A1 P00352 4/20 0.31
TSHR P16473 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
IDO1 P14902 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
TRPA1 O75762 1/20 0.30
GAA P10253 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
SCHEMBL21044980 0.84 ALDH1A1 (0.34) TP53ELANECALM1ALDH1A1TSHR
SCHEMBL1135061 0.72 ELANE (0.33) TP53ELANE
SCHEMBL4425491 0.72 ELANE (0.33) TP53ELANE
SCHEMBL21084790 0.68 ELANE (0.48) TP53ELANECALM1ALDH1A1TSHR
SCHEMBL21044879 0.68 LMNA (0.32) TSHR
SCHEMBL8468282 0.68 CALM1 (0.42) TP53ELANECALM1SMN1; SMN2KDM4E
SCHEMBL7566819 0.67 TP53 (0.30) TP53ELANE
SCHEMBL8846638 0.64 ELANE (0.33) TP53ELANE
SCHEMBL21044925 0.64 CA4 (0.34) TSHR
SCHEMBL7593009 0.63 ALDH1A1 (0.46) TP53CALM1ALDH1A1TSHRSMN1; SMN2

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
EP-3492982-B1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, METHOD FOR PRODUCING LAMINATE, AND SEMICONDUCTOR DEVICE FUJIFILM CORP (JP) 2020-11-11 EP disclosed
EP-3492982-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, METHOD FOR PRODUCING LAMINATE, AND SEMICONDUCTOR DEVICE FUJIFILM Corporation (JP) 2019-06-05 EP disclosed