SCHEMBL8149191

SCHEMBL8149191

C=C(C)C(=O)N(CC)CCCl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31

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
SCHEMBL18457667 0.83 CA12 (0.42) TDP1LMNACA12CA1CA9
SCHEMBL375752 0.83 CA12 (0.43) TDP1LMNACA12CA1CA9
SCHEMBL21608 0.82 LMNA (0.40) HSD17B10TDP1LMNACA12CA1
SCHEMBL1261147 0.81 ALDH1A1 (0.42) LMNACA12CA1CA9MMP1
SCHEMBL9273427 0.81 LMNA (0.33) LMNACA12CA1CA9MMP1
SCHEMBL375409 0.79 CA12 (0.53) LMNACA12CA1CA9MMP1
SCHEMBL1038718 0.79 TDP1 (0.33) TDP1LMNACA12CA1CA9
Acetic Acid SCHEMBL27406507 0.78 LMNA (0.37) TDP1LMNACA12CA1CA9
SCHEMBL27477398 0.78
SCHEMBL1261154 0.78 CA12 (0.38) LMNACA12CA1CA9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6041157-A Environmentally sensitive compositions of matter based on 3H-fluoren-3-ylidenes and process for making same GOETZ FREDERICK JAMES (US) 2000-03-21 US disclosed