SCHEMBL9239144

SCHEMBL9239144

O=Nc1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.56
BAD Q92934 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
TRPA1 O75762 1/20 0.54
CA2 P00918 5/20 0.52
CA1 P00915 4/20 0.52
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
CA14 Q9ULX7 2/20 0.48
SRD5A2 P31213 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EGFR P00533 1/20 0.47
KMT2A Q03164 1/20 0.47
CA3 P07451 1/20 0.46

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
SCHEMBL92849 0.93 TSHR (0.63) TP53TSHRTRPA1CA2CA1
SCHEMBL69873 0.83 TSHR (0.80) BCL2L1BADTP53TSHRCA2
SCHEMBL2637326 0.83 TSHR (0.80) BCL2L1BADTP53TSHRCA2
SCHEMBL14018385 0.83 TSHR (0.80) BCL2L1BADTP53TSHRCA2
Terephthalic Acid SCHEMBL9577834 0.83 TSHR (0.80) BCL2L1BADTP53TSHRCA2
SCHEMBL17226823 0.82 NPC1 (0.70) TSHRTRPA1CA2CA1CA12
SCHEMBL9222754 0.81 ALDH1A1 (0.64) TP53TSHRTRPA1CA2CA1
SCHEMBL16010417 0.80 BCL2L1 (0.54) BCL2L1BADTP53TSHRTRPA1
SCHEMBL12987957 0.80 TSHR (0.75) BCL2L1BADTP53TSHRCA2
SCHEMBL21808797 0.80 TSHR (0.75) BCL2L1BADTP53TSHRCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464912-A Adduct with rodlike mesogenic moiety, adduct made by reacting polyepoxide with nitro/so/ compound having epoxy-reactive hydrogen; conversion of hydroxyl product to ether, ester, halide, urethane, ketone, alkane; reducing nitro/so/ to amine THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US disclosed
US-5344898-A Curable composition with stilbene groups and molecular orientation THE DOW CHEMICAL COMPANY (US) 1994-09-06 US disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed