SCHEMBL11570246

SCHEMBL11570246

CCCCCCNC(=O)C1(C)C2C=CC(C2)C1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
EPHX2 P34913 3/20 0.41
SPHK1 Q9NYA1 6/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
EPHX1 P07099 7/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1062711 0.73 TDP1 (0.56) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL5076356 0.73 TDP1 (0.56) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL20346213 0.72 TDP1 (0.45) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL8725980 0.71 TDP1 (0.52) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL10949610 0.71 TDP1 (0.45) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL8731646 0.68 TDP1 (0.42) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL3457059 0.68 ALDH1A1 (0.58) ALDH1A1POLBTDP1KMT2ALMNA
SCHEMBL11573958 0.68 ALDH1A1 (0.58) ALDH1A1POLBTDP1KMT2ALMNA
SCHEMBL7841501 0.68 ALDH1A1 (0.58) ALDH1A1POLBTDP1KMT2ALMNA
SCHEMBL17817475 0.68 ALDH1A1 (0.58) ALDH1A1POLBTDP1KMT2ALMNA

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-4176220-A COORDINATION CATALYST JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1979-11-27 US disclosed
US-4068063-A Catalyst composition for ring-opening polymerization of norbornene derivatives and process for polymerizing same JAPAN SYNTHETIC RUBBER CO., LTD. (JA) 1978-01-10 US disclosed