SCHEMBL7182887

SCHEMBL7182887

CC(C)(C)c1ccccc1/C=C/[C]=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.37
ALOX12 P18054 1/20 0.36
MAOB P27338 6/20 0.35
CA2 P00918 1/20 0.34
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
P4HB P07237 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
TNFRSF1A P19438 1/20 0.31
NFE2L2 Q16236 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PTGES2 Q9H7Z7 1/20 0.30
KIF11 P52732 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
SCHEMBL7182890 1.00 TDP1 (0.38) TDP1ALDH1A1TSHRNFKB1ALOX12
SCHEMBL8576453 0.81 ALDH1A1 (0.48) TDP1ALDH1A1TSHRNFKB1ALOX12
SCHEMBL2396436 0.81 NFKB1 (0.58) NFKB1MAOBLMNAMAPTMEN1
SCHEMBL4281994 0.81 NFKB1 (0.58) NFKB1MAOBLMNAMAPTMEN1
SCHEMBL3811810 0.79 LMNA (0.41) TDP1ALDH1A1TSHRNFKB1CA2
SCHEMBL10382469 0.75 ALDH1A1 (0.43) TDP1ALDH1A1TSHRNFKB1ALOX12
SCHEMBL31348027 0.75 ALDH1A1 (0.43) TDP1ALDH1A1TSHRNFKB1ALOX12
SCHEMBL3374770 0.74 CDK4 (0.52) TDP1ALDH1A1TSHRNFKB1ALOX12
SCHEMBL24974753 0.74 ALDH1A1 (0.41) TDP1ALDH1A1TSHRNFKB1ALOX12
SCHEMBL2121339 0.74 ALDH1A1 (0.52) ALDH1A1TSHRLMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP disclosed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP disclosed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP disclosed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US disclosed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO disclosed