SCHEMBL3268634

SCHEMBL3268634

Cc1[nH]c(C=O)c(C)c1OC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
IGF1R P08069 1/20 0.30

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
SCHEMBL394139 0.72 ALDH1A1 (0.46) ALDH1A1RAB9APOLBKMT2ACYP1A2
SCHEMBL10810611 0.70 ALDH1A1 (0.34) ALDH1A1RAB9APOLBKMT2ACYP1A2
SCHEMBL11904724 0.70 KDR (0.41) ALDH1A1KMT2AIGF1R
SCHEMBL11307800 0.68 CYP1A2 (0.57) ALDH1A1RAB9APOLBKMT2ACYP1A2
SCHEMBL18656646 0.67 ALDH1A1 (0.39) ALDH1A1RAB9APOLBKMT2ACYP1A2
SCHEMBL13303521 0.67 ALDH1A1 (0.39) ALDH1A1RAB9APOLBKMT2ACYP1A2
SCHEMBL5401557 0.67 KDM4E (0.44) ALDH1A1RAB9APOLBKMT2ACYP1A2
SCHEMBL2491769 0.65 ALDH1A1 (0.36) ALDH1A1POLBKMT2A
SCHEMBL11763540 0.65 ALDH1A1 (0.32) ALDH1A1RAB9APOLBKMT2A
SCHEMBL11761527 0.65 SMN1; SMN2 (0.38) ALDH1A1RAB9APOLBKMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029580-B1 NOVEL INDOL-PYRROL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE AND INFLAMMATORY DISEASES SCHEBO BIOTECH AG (DE) 2010-06-16 EP disclosed
EP-2029580-A1 NOVEL INDOL-PYRROL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE AND INFLAMMATORY DISEASES ScheBo Biotech AG (DE) 2009-03-04 EP disclosed
WO-2007134578-A1 NOVEL INDOL-PYRROL DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE AND INFLAMMATORY DISEASES SCHEBO BIOTECH AG (DE) 2007-11-29 WO disclosed