SCHEMBL11797331

SCHEMBL11797331

CCCC(C)C(F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.35
METAP1 P53582 1/20 0.35
ABCB1 P08183 1/20 0.35
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
BIRC2 Q13490 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 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
SCHEMBL11760134 0.78 CA1 (0.45) CA1CA2ZDHHC7SMN1; SMN2METAP1
SCHEMBL19105417 0.78 SMN1; SMN2 (0.48) CA1CA2ZDHHC7SMN1; SMN2METAP1
SCHEMBL7099340 0.76 CA1 (0.40) CA1CA2ZDHHC7SMN1; SMN2ABCB1
SCHEMBL27406044 0.76 CHRM1 (0.48) CA2METAP1CHRM1AKR1A1CHRM3
SCHEMBL24555610 0.75 ZDHHC7 (0.48) CA1CA2ZDHHC7SMN1; SMN2METAP1
SCHEMBL21816847 0.75 METAP1 (0.44) CA1CA2ZDHHC7SMN1; SMN2METAP1
Hydrochloric Acid SCHEMBL28698262 0.73 METAP1 (0.42) CA1CA2ZDHHC7SMN1; SMN2METAP1
SCHEMBL10596596 0.73 CA1 (0.41) CA1CA2ZDHHC7SMN1; SMN2METAP1
Hydrochloric Acid SCHEMBL28690536 0.73 METAP1 (0.42) CA1CA2ZDHHC7SMN1; SMN2METAP1
SCHEMBL10733934 0.73 SMN1; SMN2 (0.41) CA1CA2SMN1; SMN2CA14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3969381-A 13,14-Dihydro-16-fluoro prostaglandin B1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969380-A 16-Fluoro prostaglandin F2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969379-A 13,14-Dihydro-16-fluoro prostaglandin A1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969377-A 16-Fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969378-A 16-Fluoro prostaglandin A2 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3969376-A 13,14-Dihydro-16-fluoro prostaglandin E1 analogs THE UPJOHN COMPANY (US) 1976-07-13 US disclosed
US-3962293-A 13,14-Dihydro-16-fluoro prostaglandin F1 THE UPJOHN COMPANY (US) 1976-06-08 US disclosed
US-3931279-A 5-Oxa prostaglandin F2.sub.α analogs THE UPJOHN COMPANY (US) 1976-01-06 US disclosed