SCHEMBL9582932

SCHEMBL9582932

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCOC(OC(=O)CCCCCCCC=CCC=CCC=CCC)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NR1I2 O75469 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ PGR P06401 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ HPRT1 P00492 4/20 0.33
▸ MGLL Q99685 1/20 0.32
▸ F7 P08709 2/20 0.31

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
SCHEMBL9582896 0.98 ALDH1A1 (0.36) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL9583018 0.95 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9583508 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9584112 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9582553 0.91 HPRT1 (0.36) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL9582996 0.89 CNR1 (0.38) ALDH1A1MAPTCNR1THRBHPRT1
SCHEMBL10481416 0.88 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAHPRT1
SCHEMBL10481488 0.87 HPRT1 (0.35) ALDH1A1MEN1KMT2AGAAHPRT1
SCHEMBL9583138 0.87 MEN1 (0.38) ALDH1A1MEN1KMT2AGAAHPRT1
SCHEMBL9584835 0.86 HPRT1 (0.36) ALDH1A1MEN1KMT2AGAAMAPT

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-5250535-A Herpes virus; nontoxic; side effect reduction; humans and veterinary medicine SYNTEX INC. (US) 1993-10-05 — — US disclosed
US-4803271-A Process for preparing guanine derivatives SYNTEX (U.S.A.) INC. (US) 1989-02-07 — — US disclosed
US-4612314-A Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl) purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1986-09-16 — — US disclosed
EP-0085424-A2 Substituted 9-(1 or 3-monoacyloxy or 1,3-diacyloxy-2-propoxymethyl)purines as antiviral agent SYNTEX (U.S.A.) INC. (US) 1983-08-10 — — EP disclosed
Send feedback