SCHEMBL11490982

SCHEMBL11490982

C=C(c1ccccc1)c1ccccc1C(=C)c1ccc(Oc2ccc(C(=C)c3ccccc3C(=C)c3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ SRD5A2 P31213 3/20 0.46
▸ LTA4H P09960 4/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ BAX Q07812 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ERCC5 P28715 1/20 0.41
▸ FEN1 P39748 1/20 0.41
▸ MAOA P21397 1/20 0.40

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
SCHEMBL4025301 0.89 MEN1 (0.52) PARP10POLBSRD5A2LTA4HNR1H2
SCHEMBL29110245 0.87 PARP10 (0.55) PARP10POLBSRD5A2LTA4HNR1H2
SCHEMBL10678296 0.85 LTA4H (0.57) PARP10SRD5A2LTA4HNR1H2BAX
SCHEMBL5694037 0.84 MEN1 (0.48) POLBTSHRMEN1KMT2AAKR1C3
Diphenylether SCHEMBL27491160 0.82 LTA4H (0.60) PARP10SRD5A2LTA4HNR1H2BAX
Diphenylether SCHEMBL28263293 0.80 LTA4H (0.57) PARP10SRD5A2LTA4HNR1H2BAX
SCHEMBL14684351 0.78 KMT2A (0.50) PARP10POLBSRD5A2LTA4HNR1H2
Diphenylether SCHEMBL27771097 0.78 LTA4H (0.55) PARP10SRD5A2LTA4HNR1H2BAX
SCHEMBL11798261 0.77 HTT (0.44) TSHRMEN1KMT2AAKR1C3
SCHEMBL10685198 0.76 LTA4H (0.69) PARP10SRD5A2LTA4HNR1H2BAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4200718-A Multifunctional lithium containing initiator THE DOW CHEMICAL COMPANY (US) 1980-04-29 — — US disclosed
Send feedback