SCHEMBL9652579

SCHEMBL9652579

COC1=C2C(=Cc3cc(F)ccc32)C(=O)C(F)=C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 1/20 0.32
AKR1B1 P15121 1/20 0.32
MAPK14 Q16539 2/20 0.31
MDM2 Q00987 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
PTPN1 P18031 1/20 0.31
MAOB P27338 1/20 0.30

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
SCHEMBL4810984 0.81 PTPN1 (0.33) PTPN1
SCHEMBL28646147 0.75 S100A4 (0.36) PTPN1
SCHEMBL7432077 0.70 PTPN1 (0.34) PTPN1
SCHEMBL30716074 0.70 PTPN1 (0.34) PTPN1
SCHEMBL6648541 0.70 PTPN1 (0.32) PTPN1
SCHEMBL6649254 0.66 P2RY6 (0.36)
SCHEMBL28455735 0.65 MAOB (0.39) KDM4EPTPN1MAOB
SCHEMBL8078213 0.65 PTPN1 (0.40) AKR1A1AKR1B1MAPK14KDM4EPTPN1
SCHEMBL9642237 0.62 MAPT (0.59) AKR1A1AKR1B1KDM4EPTPN1
SCHEMBL10560302 0.61 PTPN1 (0.43) KDM4EPTPN1

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
US-5151544-A Intermediates in the preparation of chiral spirofluorenehydantoins ALCON LABORATORIES, INC. (US) 1992-09-29 US disclosed
US-5151544-A Intermediates in the preparation of chiral spirofluorenehydantoins ALCON LABORATORIES, INC. (US) 1992-09-29 US disclosed