SCHEMBL9021346

SCHEMBL9021346

COC(=O)C(=O)c1ccccc1C1OCCO1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KAT2B Q92831 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
HNF4A P41235 1/20 0.34
POLB P06746 2/20 0.34
PIN1 Q13526 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.34
ATM Q13315 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9021385 0.84 KDM4E (0.35) ALDH1A1HSD17B10CFTRKDM4ESMN1; SMN2
SCHEMBL8463043 0.84 TSHR (0.44) ALDH1A1HSD17B10KDM4ETDP1LMNA
SCHEMBL9269310 0.84 KDM4E (0.35) ALDH1A1HSD17B10CFTRKDM4ESMN1; SMN2
Water SCHEMBL27479342 0.82 TSHR (0.42) ALDH1A1HSD17B10KDM4ETDP1LMNA
SCHEMBL18007254 0.80 POLB (0.39) ALDH1A1KDM4ESMN1; SMN2POLBHPGD
SCHEMBL8463490 0.79 TSHR (0.41) ALDH1A1HSD17B10KDM4ESMN1; SMN2TDP1
SCHEMBL7812147 0.74 CTSD (0.44) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL8461956 0.74 CYP2C9 (0.34) ALDH1A1HSD17B10CFTRKDM4ESMN1; SMN2
SCHEMBL8460590 0.74 CYP2C9 (0.34) ALDH1A1HSD17B10CFTRKDM4ESMN1; SMN2
SCHEMBL8460584 0.74 CYP2C9 (0.34) ALDH1A1HSD17B10CFTRKDM4ESMN1; 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 4 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
EP-0513580-A2 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed