SCHEMBL7705262

SCHEMBL7705262

COC(=O)CC1CN(Cc2ccccc2)c2cc(N)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
SIRT1 Q96EB6 10/20 0.46
SIRT2 Q8IXJ6 6/20 0.44
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6860701 0.88 SIRT1 (0.51) SIRT1SIRT2BRD4
SCHEMBL7711823 0.84 SIRT1 (0.52) TSHRSIRT1SIRT2ALDH1A1SMN1; SMN2
SCHEMBL7711555 0.84 TSHR (0.39) TSHR
SCHEMBL16843718 0.83 MTNR1A (0.52) SIRT1BRD4MEN1TP53MAPT
SCHEMBL18144508 0.83 MTNR1A (0.52) SIRT1BRD4MEN1TP53MAPT
SCHEMBL7708663 0.81 POLB (0.46) TSHRSIRT1ALDH1A1SMN1; SMN2MEN1
SCHEMBL16823431 0.81 RORC (0.60)
SCHEMBL18143292 0.81 RORC (0.60)
SCHEMBL18168933 0.80 SIRT1 (0.46) SIRT1SIRT2BRD4
SCHEMBL18168893 0.80 SIRT1 (0.46) SIRT1SIRT2BRD4

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-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed
US-6794385-B2 ANTITUMOR AGENTS; ANTICANCER AGENTS; OSTEOPOROSIS PHARMACIA & UPJOHN, S.P.A. (IT) 2004-09-21 US disclosed