SCHEMBL9761739

SCHEMBL9761739

CCCCC(CCCC)N(N)N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
DNM1 Q05193 2/20 0.39
OPRM1 P35372 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL1685493 0.95 ALDH1A1 (0.37) ALDH1A1TDP1DNM1OPRM1CA1
SCHEMBL1685494 0.87 OPRM1 (0.44) DNM1OPRM1CYP3A4PLA2G1BPLA2G2A
SCHEMBL10972927 0.87 ALDH1A1 (0.46) ALDH1A1TDP1DNM1OPRM1CA1
SCHEMBL6579135 0.85 OPRM1 (0.42) DNM1OPRM1TSHRCYP3A4PLA2G1B
SCHEMBL532756 0.81 TSHR (0.30) TSHR
SCHEMBL8946581 0.79 OPRM1 (0.42) DNM1OPRM1TSHRCYP3A4PLA2G1B
SCHEMBL6544930 0.78
SCHEMBL6545348 0.74 PLA2G1B (0.34) DNM1PLA2G1BPLA2G2A
SCHEMBL25687808 0.73 DNM1 (0.41) ALDH1A1TDP1DNM1OPRM1CA2
SCHEMBL27657605 0.72 ALDH1A1 (0.38) ALDH1A1TDP1DNM1OPRM1CA1

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-5017494-A Bio-thermo tip sensor SEIKO INSTRUMENTS & ELECTRONICS LTD. (JP) 1991-05-21 US disclosed