SCHEMBL7176162

SCHEMBL7176162

O=CCCCc1cccc2c1ccc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.45
MTNR1A P48039 2/20 0.40
PAX8 Q06710 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NQO2 P16083 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
MCL1 Q07820 2/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL7176833 0.95 HPRT1 (0.44) HPRT1MTNR1APAX8TDP1ALDH1A1
SCHEMBL7184372 0.94 HPRT1 (0.42) HPRT1MTNR1APAX8TDP1ALDH1A1
SCHEMBL7176244 0.90 HPRT1 (0.48) HPRT1MTNR1APAX8TDP1ALDH1A1
SCHEMBL143128 0.90 MTNR1A (0.47) MTNR1ATDP1NQO2GPR84MCL1
SCHEMBL3225216 0.85 MTNR1A (0.45) MTNR1ATDP1NQO2GPR84MCL1
SCHEMBL3244852 0.83 MTNR1A (0.44) MTNR1ATDP1NQO2GPR84MCL1
SCHEMBL16414731 0.81 HPRT1 (0.50) HPRT1MTNR1APAX8TDP1ALDH1A1
SCHEMBL15352118 0.80 HPRT1 (0.48) HPRT1MTNR1APAX8TDP1ALDH1A1
SCHEMBL143458 0.79 MTNR1A (0.49) MTNR1ATDP1ALDH1A1MEN1KMT2A
SCHEMBL30361407 0.79 KMT2A (0.62) MTNR1ATDP1ALDH1A1TSHRHSD17B10

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