SCHEMBL9801905

SCHEMBL9801905

C=CCCCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
GAA P10253 1/20 0.35
ALPG P10696 1/20 0.35
ALOX12 P18054 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.34
HDAC1 Q13547 2/20 0.33
LMNA P02545 2/20 0.33
AOX1 Q06278 1/20 0.33
HDAC4 P56524 1/20 0.33
LPAR3 Q9UBY5 2/20 0.32

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
SCHEMBL8757520 1.00 TSHR (0.40) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL9801863 1.00 TSHR (0.40) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL8403328 0.98 ALDH1A1 (0.37) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL11711810 0.82 EPHX2 (0.41) TSHRTDP1NPSR1PKMSMN1; SMN2
SCHEMBL4934443 0.82 EPHX2 (0.41) TSHRTDP1NPSR1PKMSMN1; SMN2
SCHEMBL8756382 0.82 EPHX2 (0.41) TSHRTDP1NPSR1PKMSMN1; SMN2
SCHEMBL8987951 0.80 MEN1 (0.41) NPSR1LMNAPKMSMN1; SMN2
SCHEMBL4821584 0.78 MEN1 (0.42) TSHRALDH1A1HPGDMAPTGAA
SCHEMBL9310464 0.77 NPSR1 (0.56) TSHRALDH1A1TDP1USP2HPGD
SCHEMBL9806367 0.76 EPHX2 (0.41) ALDH1A1TDP1HPGDMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
EP-0228045-A2 Aromatic thioethers CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed