SCHEMBL5829231

SCHEMBL5829231

COc1cc2c(C)c(C(=O)O)[nH]c2cc1OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.62
CTSL P07711 3/20 0.62
SRD5A2 P31213 3/20 0.62
SRD5A1 P18405 2/20 0.62
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 2/20 0.58
GAA P10253 2/20 0.58
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49

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
SCHEMBL7199353 0.95 SRD5A2 (0.54) CTSVCTSLSRD5A2SRD5A1MEN1
SCHEMBL12047200 0.80 CTSV (0.68) CTSVCTSLSRD5A2SRD5A1KMT2A
SCHEMBL18975225 0.79 SRD5A1 (0.60) CTSVCTSLSRD5A2SRD5A1MEN1
SCHEMBL5504619 0.79 KDM4E (0.69) CTSVCTSLSRD5A2MEN1KMT2A
SCHEMBL7255463 0.78 CTSV (0.68) CTSVCTSLSRD5A2SRD5A1MEN1
SCHEMBL1943022 0.78 CTSV (0.68) CTSVCTSLSRD5A2SRD5A1MEN1
SCHEMBL31564631 0.77 PLK1 (0.49) CTSVCTSLSRD5A2SRD5A1HPGD
SCHEMBL3243291 0.77 SRD5A2 (1.00) CTSVCTSLSRD5A2SRD5A1MEN1
SCHEMBL7169748 0.77 SRD5A2 (1.00) CTSVCTSLSRD5A2SRD5A1MEN1
SCHEMBL7427808 0.76 EDNRA (0.56) SRD5A2SRD5A1MEN1KMT2APOLB

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
US-7094798-B1 Inhibitors of checkpoint kinases (Wee1 and Chk1) PFIZER INC (US) 2006-08-22 US disclosed
EP-1501831-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2005-02-02 EP disclosed
WO-2003091255-A1 INHIBITORS OF CHECKPOINT KINASES (WEE1 AND CHK1) WARNER-LAMBERT COMPANY LLC (US) 2003-11-06 WO disclosed