SCHEMBL31189352

SCHEMBL31189352

CCCCc1ccc([PH](=O)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CA2 P00918 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CA1 P00915 1/20 0.48
▸ RARB P10826 1/20 0.47
▸ PLK1 P53350 1/20 0.47
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ESR1 P03372 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ TACR2 P21452 2/20 0.45
▸ SLC6A2 P23975 2/20 0.45
▸ SLC6A4 P31645 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ SHBG P04278 1/20 0.45

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
SCHEMBL28319670 0.87 ALDH1A1 (0.51) ALDH1A1HSD17B10HPGDCA2RARB
SCHEMBL28906274 0.86 CA2 (0.47) ALDH1A1CA2PLK1THRBKDM4E
SCHEMBL10707562 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL83869 0.81 CA2 (0.65) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
Ammonia Solution, Strong SCHEMBL28990998 0.78 CA2 (0.62) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL10568421 0.78 ALDH1A1 (0.65) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL9839955 0.78 CA2 (0.62) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL28227290 0.77 ALDH1A1 (0.43) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
Sulfur Dioxide SCHEMBL22042799 0.77 ALDH1A1 (0.59) ALDH1A1HSD17B10HPGDCA2SMN1; SMN2
SCHEMBL2154613 0.77 ALDH1A1 (0.44) ALDH1A1HPGDCA2SMN1; SMN2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431439-A Method for preparing 2-formylaryl (phosphinic) phosphine/phosphoramide compound 岳阳凯茂化工材料有限公司 2025-02-14 — — CN disclosed
CN-115403623-B Method for preparing 2-pyrrolyl substituted phosphine oxide compound 湖南理工学院 2024-10-29 — — CN disclosed
Send feedback