SCHEMBL9830522

SCHEMBL9830522

CCOC(=O)C1CCN(c2cc(Cl)c(Cl)cc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 5/20 0.53
KDM4E B2RXH2 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LGMN Q99538 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 3/20 0.48
HSD17B10 Q99714 1/20 0.48
NOTUM Q6P988 2/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL30464788 0.86 NOTUM (0.67) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL25285181 0.86 NOTUM (0.67) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL9830924 0.82 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL9831805 0.82 ALDH1A1 (0.58) ALDH1A1TSHRKDM4ESMN1; SMN2TDP1
SCHEMBL3225808 0.81 POLB (0.59) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL9830428 0.79 ALDH1A1 (0.53) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL17542826 0.79 LGMN (0.59) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL2165481 0.77 ALDH1A1 (0.67) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL6499815 0.76 TSHR (0.66) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN
SCHEMBL13648219 0.76 LGMN (0.65) ALDH1A1TSHRKDM4ESMN1; SMN2LGMN

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
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP disclosed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO disclosed