SCHEMBL11269463

SCHEMBL11269463

Cc1ccc(CCC(=O)CCn2ccnc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TBXAS1 P24557 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11245721 0.89 POLB (0.48) POLBCTDSP1TDP1TBXAS1EGLN3
SCHEMBL11247258 0.89 TBXAS1 (0.44) POLBCTDSP1TDP1TBXAS1ALDH1A1
SCHEMBL11256237 0.82 TBXAS1 (0.43) POLBCTDSP1TDP1TBXAS1TSHR
SCHEMBL11253750 0.82 CYP19A1 (0.55) TBXAS1EGLN3CYP11B1CYP11B2
SCHEMBL11261839 0.81 KDM4E (0.50) POLBCTDSP1TDP1TBXAS1TSHR
SCHEMBL27927872 0.79 NPSR1 (0.48) TDP1TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL11240992 0.78 HMOX2 (0.46) POLBCTDSP1TDP1TBXAS1ALDH1A1
SCHEMBL11260433 0.78 POLB (0.50) POLBCTDSP1TDP1TBXAS1EGLN3
SCHEMBL11255215 0.78 LMNA (0.50) TDP1TBXAS1EGLN3KMT2ALMNA
SCHEMBL11241105 0.76 CYP11B1 (0.57) POLBCTDSP1TDP1TBXAS1EGLN3

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed