SCHEMBL6894551

SCHEMBL6894551

Nc1ccccc1OC(=O)CC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 6/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
CFTR P13569 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RCE1 Q9Y256 1/20 0.38
POLB P06746 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
Butane SCHEMBL1044705 0.93 CYP1A2 (0.45) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL12457115 0.84 RECQL (0.44) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL11499300 0.84 TSHR (0.45) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL28556808 0.81 TSHR (0.45) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL6813947 0.81 TSHR (0.45) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL28233817 0.81 ALDH1A1 (0.50) SMN1; SMN2TSHRALDH1A1RECQLADRA2B
SCHEMBL27686598 0.79 GAA (0.48) SMN1; SMN2TSHRALDH1A1LMNAKDM4E
SCHEMBL362721 0.79 ALDH1A1 (0.52) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL10074949 0.79 TSHR (0.44) SMN1; SMN2TSHRALDH1A1RECQLLMNA
SCHEMBL10521757 0.79 TSHR (0.44) SMN1; SMN2TSHRALDH1A1RECQLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699079-B1 BIOACTIVE AND/OR TARGETED DENDRIMER CONJUGATES COMPRISING GENETIC MATERIALS DOW CHEMICAL CO (US) 2004-09-29 EP disclosed
US-6312679-B1 Dense star polymer conjugates as dyes THE DOW CHEMICAL COMPANY 2001-11-06 US disclosed
US-6177414-B1 POLYMAMINOAMIDE DENDRIMER STAR POLYMER CARRYING SALICYLIC ACID MOIETIES; DRUG DELIVERY THE DOW CHEMICAL COMPANY 2001-01-23 US disclosed
US-5714166-A Bioactive and/or targeted dendrimer conjugates THE DOW CHEMICAL COMPANY (US) 1998-02-03 US disclosed
EP-0271180-B2 Starburst conjugates DOW CHEMICAL CO (US) 1997-06-18 EP disclosed
US-5527524-A AGRICULTURAL, PHARMACEUTICAL, DRUG DELIVERY THE DOW CHEMICAL COMPANY (US) 1996-06-18 US disclosed
US-5338532-A Star polymer as carrier for drugs, agricultural compounds THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
EP-0271180-A1 Starburst conjugates THE DOW CHEMICAL COMPANY (US) 1988-06-15 EP disclosed
WO-1988001178-A1 STARBURST CONJUGATES THE DOW CHEMICAL COMPANY (US) 1988-02-25 WO disclosed