SCHEMBL8468006

SCHEMBL8468006

COC(=O)[C@H](C(C)C)N1CCCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KDM4E B2RXH2 2/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ALDH1A1 P00352 3/20 0.34

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
SCHEMBL19975025 0.83 LMNA (0.42) LMNACA12CA1CA2CA3
SCHEMBL15106072 0.81 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL8331968 0.81 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL15113459 0.81 LMNA (0.44) LMNACA12CA1CA2CA3
SCHEMBL22648649 0.80 LMNA (0.51) LMNACA12CA1CA2CA3
SCHEMBL15116502 0.80 LMNA (0.41) LMNACA12CA1CA2CA3
SCHEMBL22151991 0.79 LMNA (0.43) LMNACA12CA1CA2CA3
SCHEMBL28977958 0.78 LMNA (0.47) LMNACA12CA1CA2CA3
SCHEMBL19388177 0.77 ATM (0.44) LMNAALDH1A1MEN1KMT2ACYP2C9
SCHEMBL3725271 0.76 LMNA (0.49) LMNACA12CA1CA2CA3

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-0730467-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-01-13 EP disclosed
EP-0730467-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 1996-09-11 EP disclosed
US-5468733-A FOR TREATING CANCER MERCK & CO., INC. (US) 1995-11-21 US disclosed
WO-1995009000-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1995-04-06 WO disclosed