SCHEMBL11229929

SCHEMBL11229929

C=C(C)COCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCOCC(=C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
ALDH1A1 P00352 7/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 3/20 0.59
MAPK1 P28482 2/20 0.59
TP53 P04637 1/20 0.59
TDP1 Q9NUW8 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL5937395 0.89 TSHR (0.59) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL10981559 0.85 ALDH1A1 (0.77) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL29220301 0.84 TSHR (0.66) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL30901560 0.84 TSHR (0.66) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL6529168 0.84 TSHR (0.53) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL30901597 0.83 TSHR (0.65) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL29220340 0.83 TSHR (0.65) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL4805293 0.81 TSHR (0.66) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL11229934 0.81 TSHR (0.66) TSHRALDH1A1LMNACYP3A4MAPK1
SCHEMBL30901532 0.81 TSHR (0.64) TSHRALDH1A1LMNACYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US claimed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US claimed
US-4339527-A BIS/ACRYLOYLOXYALKYL/HYDROCARBYLDICARBOXYLATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-07-13 US disclosed
US-4230790-A COMPRISING A PHOTOINITIATOR, A POLYMERIC BINDER, AND AN ACRYLIC ESTER OF A DICARBOXYLIC ACID AND A GLYCOL ACRYLATE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-10-28 US disclosed