SCHEMBL9508527

SCHEMBL9508527

CCC(CC)NC(=O)C(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
USP2 O75604 1/20 0.56
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
CA9 Q16790 1/20 0.50
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
ATM Q13315 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL12790571 0.85 HDAC8 (0.52) TSHRUSP2CA1CA2CA12
SCHEMBL2058687 0.82 CA2 (0.68) TSHRUSP2CA1CA2KMT2A
SCHEMBL13609165 0.81 TSHR (0.54) TSHRUSP2CA1CA2CA12
SCHEMBL8899976 0.81 MMP1 (0.48) TSHRUSP2CA1CA2CA12
SCHEMBL27118233 0.79 USP2 (0.52) TSHRUSP2CA1CA2CA12
SCHEMBL2314196 0.79 MMP1 (0.46) TSHRUSP2CA1CA2CA12
SCHEMBL30952371 0.79 USP2 (0.47) TSHRUSP2SMN1; SMN2LMNATDP1
SCHEMBL669950 0.78
SCHEMBL598066 0.77 TSHR (0.50) TSHRUSP2CA1CA2HTT
SCHEMBL25634040 0.77 KISS1R (0.51) TSHRUSP2CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214752-B2 Homopolymers which exhibit a high level of photo-inducable birefringence BAYER MATERIALSCIENCE AG (DE) 2007-05-08 US disclosed
EP-0340706-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC-ACID CHLORIDES BASF Aktiengesellschaft (DE) 1993-10-13 EP disclosed
EP-0340706-A2 Process for the preparation of carboxylic-acid chlorides BASF Aktiengesellschaft (DE) 1989-11-08 EP disclosed