SCHEMBL13384362

SCHEMBL13384362

CC(C/C=C/C(C)(C)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.35
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
ENPEP Q07075 2/20 0.31
BLM P54132 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL19480722 0.82 GABRR1 (0.32) GABRR1CYP1A2
SCHEMBL18878945 0.82
SCHEMBL19480718 0.82
SCHEMBL4585237 0.79 GABRR1 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL4585236 0.79 GABRR1 (0.46) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL14137394 0.79
SCHEMBL6452859 0.79 GABRR1 (0.35) GABRR1CYP1A2FOLH1NAALAD2ENPEP
SCHEMBL28960695 0.75 MEN1 (0.32)
SCHEMBL20825944 0.74 ACE2 (0.42) GABRR1CYP1A2BLM
SCHEMBL5314429 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2682746-B1 Methods for the diagnosis of ovarian cancer health states and risk of ovarian cancer health states PHENOMENOME DISCOVERIES INC (CA) 2017-05-24 EP disclosed
US-20160377623-A1 METHODS FOR THE DIAGNOSIS OF OVARIAN CANCER HEALTH STATES AND RISK OF OVARIAN CANCER HEALTH STATES MED-LIFE DISCOVERIES LP (CA) 2016-12-29 US disclosed
US-20160305928-A1 METHODS FOR THE DIAGNOSIS OF OVARIAN CANCER HEALTH STATES AND RISK OF OVARIAN CANCER HEALTH STATES MED-LIFE DISCOVERIES LP (CA) 2016-10-20 US disclosed
US-20160305928-A1 METHODS FOR THE DIAGNOSIS OF OVARIAN CANCER HEALTH STATES AND RISK OF OVARIAN CANCER HEALTH STATES MED-LIFE DISCOVERIES LP (CA) 2016-10-20 US disclosed
US-20100086960-A1 METHODS FOR THE DIAGNOSIS OF OVARIAN CANCER HEALTH STATES AND RISK OF OVARIAN CANCER HEALTH STATES PHENOMENOME DISCOVERIES INC. (CA) 2010-04-08 US disclosed
US-20100086960-A1 METHODS FOR THE DIAGNOSIS OF OVARIAN CANCER HEALTH STATES AND RISK OF OVARIAN CANCER HEALTH STATES PHENOMENOME DISCOVERIES INC. (CA) 2010-04-08 US disclosed
US-20100062472-A1 BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF PHENOMENOME DISCOVERIES INC. (CA) 2010-03-11 US disclosed
US-20100062472-A1 BIOMARKERS FOR DIAGNOSING MULTIPLE SCLEROSIS, AND METHODS THEREOF PHENOMENOME DISCOVERIES INC. (CA) 2010-03-11 US disclosed