SCHEMBL11267036

SCHEMBL11267036

CC=CCC1=CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
ALOX15 P16050 2/20 0.40
CXCR3 P49682 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.36
GSTP1 P09211 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RAB9A P51151 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11839111 0.98 CXCR3 (0.40) ALDH1A1ALOX15CXCR3SMN1; SMN2PKM
SCHEMBL27633323 0.98 CXCR3 (0.40) ALDH1A1ALOX15CXCR3SMN1; SMN2PKM
SCHEMBL18754403 0.94
SCHEMBL8083435 0.94
SCHEMBL21582128 0.83
SCHEMBL28573077 0.82
SCHEMBL7994494 0.81 CXCR3 (0.42) ALDH1A1ALOX15CXCR3SMN1; SMN2PKM
SCHEMBL7994890 0.81 CXCR3 (0.42) ALDH1A1ALOX15CXCR3SMN1; SMN2PKM
SCHEMBL6590315 0.79 SMN1; SMN2 (0.37) ALDH1A1ALOX15CXCR3SMN1; SMN2PKM
SCHEMBL9384271 0.78 ALDH1A1 (0.39) ALDH1A1ALOX15CXCR3SMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239963-A1 REACTION PRODUCT, METHOD OF MAKING THE SAME, AND CURABLE COMPOSITIONS INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2024-07-18 US disclosed
WO-2022219425-A1 REACTION PRODUCT, METHOD OF MAKING THE SAME, AND CURABLE COMPOSITIONS INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-10-20 WO disclosed
US-4334098-A Trans,trans-Δ-damascone, mixtures containing major proportions of same, processes for preparing same and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-06-08 US disclosed
US-4211242-A Composition of matter comprising more than 50% trans, trans-Δ-damascone for augmenting or enhancing the aroma and taste of a smoking tobacco INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-07-08 US disclosed
US-4198309-A Use of trans, trans-Δ-damascone and mixtures containing 80% or more of trans, trans-Δ-damascone in augmenting or enhancing the aroma of a detergent INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-04-15 US disclosed
US-4010217-A NITROSYL MOLYBDENUM OR TUNGSTEN COORDINATION CATALYST, ORGANOALUMINUM ADJUVANT PHILLIPS PETROLEUM COMPANY (US) 1977-03-01 US disclosed