SCHEMBL9021385

SCHEMBL9021385

CC=C(C(=O)OC)c1ccccc1C1OCCO1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
CFTR P13569 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HNF4A P41235 1/20 0.33
KAT2B Q92831 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HPGD P15428 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
PIN1 Q13526 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL9269310 1.00 KDM4E (0.35) KDM4ESMN1; SMN2ALDH1A1HSD17B10CFTR
SCHEMBL9021346 0.84 ALDH1A1 (0.38) KDM4ESMN1; SMN2ALDH1A1HSD17B10CFTR
SCHEMBL9775489 0.76 BRD4 (0.39) KDM4ESMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL9775453 0.76 BRD4 (0.39) KDM4ESMN1; SMN2ALDH1A1HSD17B10TDP1
SCHEMBL9263251 0.72 LMNA (0.40) KDM4EALDH1A1HSD17B10CFTRTDP1
SCHEMBL9021760 0.72 LMNA (0.40) KDM4EALDH1A1HSD17B10CFTRTDP1
SCHEMBL8605320 0.72 LMNA (0.40) KDM4EALDH1A1HSD17B10CFTRTDP1
SCHEMBL2985717 0.72 LMNA (0.58) KDM4ESMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL9723735 0.72 NPC1 (0.45) KDM4ESMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL5998811 0.72 NPC1 (0.45) KDM4ESMN1; SMN2ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0513580-B1 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF AG (DE) 1996-10-23 EP disclosed
US-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed