SCHEMBL8948910

SCHEMBL8948910

Cc1ccccc1OCCC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
TSHR P16473 1/20 0.49
NOTUM Q6P988 1/20 0.49

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
SCHEMBL3046950 0.84 LMNA (0.69) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL2398594 0.83 MAPT (0.67) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL6905550 0.80 ALDH1A1 (0.65) TDP1L3MBTL1MAPTKMT2ALMNA
SCHEMBL17727595 0.80 LMNA (0.46) TDP1L3MBTL1MAPTKMT2ALMNA
SCHEMBL8752667 0.79 TSHR (0.68) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL28261344 0.79 TDP1 (0.53) TDP1L3MBTL1MAPTKMT2ALMNA
SCHEMBL11585022 0.78 ALDH1A1 (0.59) TDP1L3MBTL1KMT2ALMNAALDH1A1
SCHEMBL3043854 0.78 TSHR (0.61) RXRARXRBRXRGTDP1L3MBTL1
SCHEMBL30600098 0.78 KDM4E (0.59) TDP1KMT2AALDH1A1KDM4E
SCHEMBL6676887 0.78 KDM4E (0.59) TDP1KMT2AALDH1A1KDM4E

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-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
EP-0525516-B1 Derivatives of beta substituted cinnomic acid BASF AG (DE) 1995-09-27 EP disclosed
EP-0525516-A2 Derivatives of beta substituted cinnomic acid BASF Aktiengesellschaft (DE) 1993-02-03 EP disclosed