SCHEMBL7182399

SCHEMBL7182399

CC(=O)n1cc(C[C]=O)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.48
HTT P42858 3/20 0.47
KDM4E B2RXH2 6/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
PAX8 Q06710 1/20 0.45
ALDH1A1 P00352 4/20 0.45
POLB P06746 3/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRPF1 P55201 1/20 0.45
BRD9 Q9H8M2 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GALR2 O43603 1/20 0.43
MITF O75030 1/20 0.43
GLA P06280 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL8803444 0.86 CREBBP (0.47) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL12301581 0.83 CREBBP (0.52) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL29424269 0.81 HTR2A (0.59) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL7528710 0.81 HTR2A (0.59) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL24331530 0.81 CREBBP (0.50) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL31432746 0.79 CDC25A (0.55) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL10359905 0.79 HTT (0.51) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL1092889 0.78 CREBBP (0.51) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL12775639 0.78 CREBBP (0.48) CREBBPHTTKDM4ERAB9AMAPT
SCHEMBL7274641 0.77 POLB (0.54) CREBBPHTTKDM4ERAB9AMAPT

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