SCHEMBL30909296

SCHEMBL30909296

C=C(C)C(=O)Oc1ccc(OOC(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.68
KMT2A Q03164 11/20 0.49
MAPT P10636 6/20 0.49
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.49
PARP10 Q53GL7 1/20 0.47
LMNA P02545 2/20 0.47
F2 P00734 1/20 0.47
ATM Q13315 1/20 0.44
MEN1 O00255 4/20 0.44
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSP90AA1 P07900 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL4473581 0.91 ELANE (0.76) ELANEKMT2AMAPTTDP1ALDH1A1
SCHEMBL22609157 0.84 ELANE (0.77) ELANEKMT2AMAPTTDP1ALDH1A1
SCHEMBL17433317 0.82 ELANE (0.67) ELANEKMT2AMAPTTDP1ALDH1A1
SCHEMBL12196750 0.82 ELANE (0.67) ELANEKMT2AMAPTTDP1ALDH1A1
SCHEMBL10560176 0.82 F2 (0.70) KMT2AMAPTTDP1ALDH1A1L3MBTL1
SCHEMBL144013 0.81 ELANE (1.00) ELANEKMT2AALDH1A1L3MBTL1ATM
Benzoic Acid SCHEMBL22609156 0.81 ELANE (0.81) ELANEKMT2ATDP1PKMPARP10
SCHEMBL15071409 0.81 ELANE (0.81) ELANEKMT2AMAPTTDP1PARP10
SCHEMBL11125373 0.80 ELANE (0.60) ELANEKMT2AMAPTTDP1ALDH1A1
SCHEMBL15058 0.80 ELANE (0.73) ELANEKMT2AMAPTTDP1ALDH1A1

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
CN-115368912-B Liquid crystal composition, reflective film and preparation method thereof 上海先认新材料合伙企业(有限合伙) 2024-05-14 CN disclosed
CN-115322796-B Liquid crystal composition, moth eye mask and preparation method of moth eye mask 上海先认新材料合伙企业(有限合伙) 2024-05-10 CN disclosed