SCHEMBL9348656

SCHEMBL9348656

COc1cc(I)c(COCc2ccccc2)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALOX5 P09917 1/20 0.40
TACR1 P25103 1/20 0.39
APP P05067 1/20 0.39
TUBB4A P04350 4/20 0.39
TUBB P07437 4/20 0.39
TUBA3C P0DPH7 4/20 0.39
TUBA1B P68363 4/20 0.39
TUBA4A P68366 4/20 0.39
TUBB4B P68371 4/20 0.39
TUBB3 Q13509 4/20 0.39
TUBB2A Q13885 4/20 0.39
TUBB8 Q3ZCM7 4/20 0.39
TUBA3E Q6PEY2 4/20 0.39
TUBA1A Q71U36 4/20 0.39
TUBA1C Q9BQE3 4/20 0.39
TUBB6 Q9BUF5 4/20 0.39
TUBB2B Q9BVA1 4/20 0.39
TUBB1 Q9H4B7 4/20 0.39
G6PD P11413 1/20 0.38

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
SCHEMBL9352494 0.85 TSHR (0.44) TSHRALOX5G6PDSMN1; SMN2GAA
SCHEMBL9348598 0.82 TSHR (0.44) TSHRALOX5TUBB4ATUBBTUBA3C
SCHEMBL9352506 0.82 TSHR (0.44) TSHRALOX5TUBB4ATUBBTUBA3C
SCHEMBL9349724 0.79 PTPN1 (0.47) TSHRALOX5APPSMN1; SMN2GAA
SCHEMBL9348405 0.78 CYP3A4 (0.37) TSHRLMNAMAPT
SCHEMBL9352610 0.77 CTSV (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13605957 0.74 APP (0.43) APPMEN1KMT2ATDP1ABCB1
SCHEMBL9348407 0.72 PTPN1 (0.48) TSHRALOX5ALDH1A1TDP1ABCB1
SCHEMBL5237170 0.70 APP (0.56) APPSMN1; SMN2GAAMGAMSI
SCHEMBL17431959 0.70 PDE4A (0.49) GAAMGAMSIMGAM2MEN1

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
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO claimed
US-5296602-A Condensing substituted ortho-halo- or ortho-aminobenzoic acid with meta-halo- or meta-aminoanisole, cyclizing, N-alkylating, de-O-methylating SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-03-22 US disclosed
WO-1992016509-A1 MULTISUBSTITUTED 1-HYDROXY-9-ACRIDONES WITH ANTICANCER ACTIVITY SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-10-01 WO disclosed